[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 4-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 4-methyl-2-oxidanyl-benzoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxy-4-methyl-benzoate CAS Name: 2-hydroxy-4-methylbenzoic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-hydroxy-4-methylbenzoate Traditional Name: 2-hydroxy-4-methyl-benzoic acid [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3)O

InChI

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