4-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-methyl-benzoic acid Openeye Name: 4-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[[(2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[(2S)-1-(4-chlorophenyl)sulfonylprolyl]amino]-3-methyl-benzoic acid Formula: C19H19ClN2O5S MolecularWeight: 422.88256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN2O5S/c1-12-11-13(19(24)25)4-9-16(12)21-18(23)17-3-2-10-22(17)28(26,27)15-7-5-14(20)6-8-15/h4-9,11,17H,2-3,10H2,1H3,(H,21,23)(H,24,25)/t17-/m0/s1