Methyl 4-(oxiran-2-ylmethyl(1-phenylethyl)sulfamoyl)benzoate

HCID 190097

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Basic information

CAS: 89820-09-7
Standard SMILES: COC(=O)c1ccc(S(=O)(=O)N(CC2CO2)C(C)c2ccccc2)cc1
InChIKey: OIIKKHHRVUYGNM-UHFFFAOYSA-N
Molecular formula: C19H21NO5S
Average molar mass: 375.4 g/mol
Monoisotopic mass: 375.11404394

Names & identifiers

Preferred name: Methyl 4-(oxiran-2-ylmethyl(1-phenylethyl)sulfamoyl)benzoate
IUPAC: methyl 4-[oxiran-2-ylmethyl(1-phenylethyl)sulfamoyl]benzoate

Names & synonyms

89820-09-7Methyl 4-(oxiran-2-ylmethyl(1-phenylethyl)sulfamoyl)benzoateDTXSID101008997Benzoic acid, 4-(((2-oxiranylmethyl)(1-phenylethyl)amino)sulfonyl)-, methyl esterMethyl 4-{[(oxiran-2-yl)methyl](1-phenylethyl)sulfamoyl}benzoate

Database identifiers

CAS: 89820-09-7
PubChem CID: 190097
DTXSID: DTXSID101008997

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 84.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 573

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