5-[[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[(2S)-1-(4-chlorophenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[(2S)-1-(4-chlorophenyl)sulfonylprolyl]amino]methyl]-2-methoxy-benzoic acid Formula: C20H21ClN2O6S MolecularWeight: 452.90854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C20H21ClN2O6S/c1-29-18-9-4-13(11-16(18)20(25)26)12-22-19(24)17-3-2-10-23(17)30(27,28)15-7-5-14(21)6-8-15/h4-9,11,17H,2-3,10,12H2,1H3,(H,22,24)(H,25,26)/t17-/m0/s1