4-[[1-(4-phenylphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1-(4-phenylphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-(4-phenylphenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 4-[[[4-mercapto-1-(4-phenylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-(4-phenylphenyl)sulfonyl-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 4-[[4-mercapto-1-(4-phenylphenyl)sulfonyl-prolyl]amino]benzoic acid Formula: C24H22N2O5S2 MolecularWeight: 482.57188

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)S

Isomeric SMILES

C1C(CN(C1C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)S

InChI

InChI=1S/C24H22N2O5S2/c27-23(25-19-10-6-18(7-11-19)24(28)29)22-14-20(32)15-26(22)33(30,31)21-12-8-17(9-13-21)16-4-2-1-3-5-16/h1-13,20,22,32H,14-15H2,(H,25,27)(H,28,29)