[1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 3-oxidanylbenzoate

Systemtic Name: [1-oxidanylidene-1-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]propan-2-yl] 3-oxidanylbenzoate Openeye Name: [1-methyl-2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid [1-oxo-1-[4-(1-pyrrolidinylsulfonyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid [2-keto-1-methyl-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)C3=CC(=CC=C3)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)OC(=O)C3=CC(=CC=C3)O

InChI

InChI=1S/C20H22N2O6S/c1-14(28-20(25)15-5-4-6-17(23)13-15)19(24)21-16-7-9-18(10-8-16)29(26,27)22-11-2-3-12-22/h4-10,13-14,23H,2-3,11-12H2,1H3,(H,21,24)