7-Methoxy-3-methyl-5-((4-methylphenyl)sulfonyl)-2,3,4,5-tetrahydro-1H-phospholo(2,3-c)quinoline 3-oxide

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Basic information

CAS: 84779-95-3
Standard SMILES: COc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)CC1=C2CCP1(C)=O
InChIKey: NPFUOHDZVFZKEM-UHFFFAOYSA-N
Molecular formula: C20H22NO4PS
Average molar mass: 403.4 g/mol
Monoisotopic mass: 403.10071635

Names & identifiers

Preferred name: 7-Methoxy-3-methyl-5-((4-methylphenyl)sulfonyl)-2,3,4,5-tetrahydro-1H-phospholo(2,3-c)quinoline 3-oxide
IUPAC: 7-methoxy-3-methyl-5-(4-methylphenyl)sulfonyl-2,4-dihydro-1H-phospholo[2,3-c]quinoline 3-oxide

Names & synonyms

84779-95-3Z8WRAH4XTFUNII-Z8WRAH4XTFNSC273920NSC 2739207-Methoxy-3-methyl-5-((4-methylphenyl)sulfonyl)-2,3,4,5-tetrahydro-1H-phospholo(2,3-c)quinoline 3-oxide7-Methoxy-3-methyl-5-tosyl-2,3,4,5-tetrahydro-1H-phospholo[2,3-c]quinoline 3-oxideNSC-2739207-Methoxy-3-methyl-5-tosyl-2,3,4,5-tetrahydro-1H-phospholo(2,3-C)quinoline 3-oxide7-Methoxy-3-methyl-5-((4-methylphenyl)sulfonyl)-2,3,4,5-tetrahydro-1H-phospholo[2,3-c]quinoline 3-oxide7-methoxy-3-methyl-5-(p-tolylsulfonyl)-2,4-dihydro-1H-phospholo[2,3-c]quinoline 3-oxide1H-PHOSPHOLO(2,3-C)QUINOLINE, 2,3,4,5-TETRAHYDRO-7-METHOXY-3-METHYL-5-((4-METHYLPHENYL)SULFONYL)-, 3-OXIDE

Show more names

Methyl 3-methyl-5-((4-methylphenyl)sulfonyl)-3-oxido-2,3,4,5-tetrahydro-1H-phospholo[2,3-c]quinolin-7-yl ether

Database identifiers

CAS: 84779-95-3

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 763

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Compound notes

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