4-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]-3-methylbenzoic acid Traditional Name: 4-[(4-methoxy-3-pyrrolidinosulfonyl-benzoyl)amino]-3-methyl-benzoic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H22N2O6S/c1-13-11-15(20(24)25)5-7-16(13)21-19(23)14-6-8-17(28-2)18(12-14)29(26,27)22-9-3-4-10-22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,23)(H,24,25)