2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanylbutanedioic acid

Systemtic Name: 2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanylbutanedioic acid Openeye Name: 2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanylbutanedioic acid CAS Name: 2-[[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]thio]butanedioic acid IUPAC Name: 2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanylbutanedioic acid Traditional Name: 2-[[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]thio]succinic acid Formula: C16H20N2O7S2 MolecularWeight: 416.4692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC(CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H20N2O7S2/c19-14(10-26-13(16(22)23)9-15(20)21)17-11-3-5-12(6-4-11)27(24,25)18-7-1-2-8-18/h3-6,13H,1-2,7-10H2,(H,17,19)(H,20,21)(H,22,23)