(2R)-2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanylbutanedioate

Systemtic Name: (2R)-2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanylbutanedioate Openeye Name: (2R)-2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanylbutanedioate CAS Name: (2R)-2-[[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]thio]butanedioate IUPAC Name: (2R)-2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanylbutanedioate Traditional Name: (2R)-2-[[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]thio]succinate Formula: C16H18N2O7S2-2 MolecularWeight: 414.45332

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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)CS[C@H](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)/p-2/t13-/m1/s1