4-[2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 4-[2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid Openeye Name: 4-[3-hydroxy-3-oxo-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propyl]benzoic acid CAS Name: 4-[3-hydroxy-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-oxopropyl]benzoic acid IUPAC Name: 4-[3-hydroxy-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-oxopropyl]benzoic acid Traditional Name: 4-[3-hydroxy-3-keto-2-[(1-tosylprolyl)amino]propyl]benzoic acid Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H24N2O7S/c1-14-4-10-17(11-5-14)32(30,31)24-12-2-3-19(24)20(25)23-18(22(28)29)13-15-6-8-16(9-7-15)21(26)27/h4-11,18-19H,2-3,12-13H2,1H3,(H,23,25)(H,26,27)(H,28,29)