4-[[1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1-(4-methylphenyl)sulfonyl-4-oxidanyl-pyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 4-[[4-hydroxy-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 4-[[[4-hydroxy-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 4-[(4-hydroxy-1-tosyl-prolyl)amino]benzoic acid Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)NC3=CC=C(C=C3)C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)NC3=CC=C(C=C3)C(=O)O)O

InChI

InChI=1S/C19H20N2O6S/c1-12-2-8-16(9-3-12)28(26,27)21-11-15(22)10-17(21)18(23)20-14-6-4-13(5-7-14)19(24)25/h2-9,15,17,22H,10-11H2,1H3,(H,20,23)(H,24,25)