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

Systemtic Name: 4-[[1-(4-methoxyphenyl)sulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-(4-methoxyphenyl)sulfonyl-4-sulfanyl-pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 4-[[[4-mercapto-1-(4-methoxyphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-(4-methoxyphenyl)sulfonyl-4-sulfanylpyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 4-[[4-mercapto-1-(4-methoxyphenyl)sulfonyl-prolyl]amino]benzoic acid Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)NC3=CC=C(C=C3)C(=O)O)S

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)NC3=CC=C(C=C3)C(=O)O)S

InChI

InChI=1S/C19H20N2O6S2/c1-27-14-6-8-16(9-7-14)29(25,26)21-11-15(28)10-17(21)18(22)20-13-4-2-12(3-5-13)19(23)24/h2-9,15,17,28H,10-11H2,1H3,(H,20,22)(H,23,24)