3-(methylsulfonylamino)-5-[(3-oxidanylidene-2-pyrrolidin-3-yl-3-sulfanyl-propanoyl)amino]benzoic acid

Systemtic Name: 3-(methylsulfonylamino)-5-[(3-oxidanylidene-2-pyrrolidin-3-yl-3-sulfanyl-propanoyl)amino]benzoic acid Openeye Name: 3-(methanesulfonamido)-5-[(3-oxo-2-pyrrolidin-3-yl-3-sulfanyl-propanoyl)amino]benzoic acid CAS Name: 3-[[3-mercapto-1,3-dioxo-2-(3-pyrrolidinyl)propyl]amino]-5-(methanesulfonamido)benzoic acid IUPAC Name: 3-(methanesulfonamido)-5-[(3-oxo-2-pyrrolidin-3-yl-3-sulfanylpropanoyl)amino]benzoic acid Traditional Name: 3-[(3-keto-3-mercapto-2-pyrrolidin-3-yl-propanoyl)amino]-5-(methanesulfonamido)benzoic acid Formula: C15H19N3O6S2 MolecularWeight: 401.45786

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=CC(=C1)NC(=O)C(C2CCNC2)C(=O)S)C(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC(=CC(=C1)NC(=O)C(C2CCNC2)C(=O)S)C(=O)O

InChI

InChI=1S/C15H19N3O6S2/c1-26(23,24)18-11-5-9(14(20)21)4-10(6-11)17-13(19)12(15(22)25)8-2-3-16-7-8/h4-6,8,12,16,18H,2-3,7H2,1H3,(H,17,19)(H,20,21)(H,22,25)