2-[[1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 2-[[5-oxo-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-5-oxo-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 2-[(5-keto-1-tosyl-prolyl)amino]benzoic acid Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H18N2O6S/c1-12-6-8-13(9-7-12)28(26,27)21-16(10-11-17(21)22)18(23)20-15-5-3-2-4-14(15)19(24)25/h2-9,16H,10-11H2,1H3,(H,20,23)(H,24,25)