Isoquinoline, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-dimethoxy-

HCID 29077

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Basic information

CAS: 18453-36-6
Standard SMILES: COc1cc2c(cc1OC)C(c1ccc(S(=O)(=O)C(C)C)cc1)=NCC2
InChIKey: OHHBBAUDOCJGIT-UHFFFAOYSA-N
Molecular formula: C20H23NO4S
Average molar mass: 373.5 g/mol
Monoisotopic mass: 373.13477939

Names & identifiers

Preferred name: Isoquinoline, 3,4-dihydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-dimethoxy-
IUPAC: 6,7-dimethoxy-1-(4-propan-2-ylsulfonylphenyl)-3,4-dihydroisoquinoline

Names & synonyms

BRN 1505735ISOQUINOLINE, 3,4-DIHYDRO-1-(p-(ISOPROPYLSULFONYL)PHENYL)-6,7-DIMETHOXY-18453-36-6DTXSID601715881-((p-Isopropylsulfonyl)phenyl)-6,7-dimethoxy-3,4-dihydro-isoquinoline3,4-Dihydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-dimethoxy-isoquinoline5-21-05-00646 (Beilstein Handbook Reference)RefChem:350005DTXCID00940796,7-dimethoxy-1-[4-(propane-2-sulfonyl)phenyl]-3,4-dihydroisoquinoline

Database identifiers

CAS: 18453-36-6
PubChem CID: 29077
DTXSID: DTXSID60171588
Nikkaji: J86.387D

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 73.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 602

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