4-[(4-sulfanyl-1-thiophen-2-ylsulfonyl-pyrrolidin-2-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(4-sulfanyl-1-thiophen-2-ylsulfonyl-pyrrolidin-2-yl)carbonylamino]benzoic acid Openeye Name: 4-[[4-sulfanyl-1-(2-thienylsulfonyl)pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 4-[[(4-mercapto-1-thiophen-2-ylsulfonyl-2-pyrrolidinyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(4-sulfanyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carbonyl)amino]benzoic acid Traditional Name: 4-[[4-mercapto-1-(2-thienylsulfonyl)prolyl]amino]benzoic acid Formula: C16H16N2O5S3 MolecularWeight: 412.50364

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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=CS3)S

Isomeric SMILES

C1C(CN(C1C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CS3)S

InChI

InChI=1S/C16H16N2O5S3/c19-15(17-11-5-3-10(4-6-11)16(20)21)13-8-12(24)9-18(13)26(22,23)14-2-1-7-25-14/h1-7,12-13,24H,8-9H2,(H,17,19)(H,20,21)