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

Systemtic Name: 4-[[1-(2-methoxycarbonylphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-(2-methoxycarbonylphenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 4-[[[4-mercapto-1-(2-methoxycarbonylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-(2-methoxycarbonylphenyl)sulfonyl-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 4-[[1-(2-carbomethoxyphenyl)sulfonyl-4-mercapto-prolyl]amino]benzoic acid Formula: C20H20N2O7S2 MolecularWeight: 464.512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CC(CC2C(=O)NC3=CC=C(C=C3)C(=O)O)S

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CC(CC2C(=O)NC3=CC=C(C=C3)C(=O)O)S

InChI

InChI=1S/C20H20N2O7S2/c1-29-20(26)15-4-2-3-5-17(15)31(27,28)22-11-14(30)10-16(22)18(23)21-13-8-6-12(7-9-13)19(24)25/h2-9,14,16,30H,10-11H2,1H3,(H,21,23)(H,24,25)