ethanedioic acid; 1-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]piperidine-4-carboxamide

Systemtic Name: ethanedioic acid; 1-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]piperidine-4-carboxamide Openeye Name: oxalic acid; 1-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]piperidine-4-carboxamide CAS Name: oxalic acid; 1-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]-4-piperidinecarboxamide IUPAC Name: oxalic acid; 1-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]piperidine-4-carboxamide Traditional Name: 1-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]isonipecotamide; oxalic acid Formula: C20H28N4O8S MolecularWeight: 484.52332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H26N4O4S.C2H2O4/c19-18(24)14-6-10-21(11-7-14)13-17(23)20-15-4-3-5-16(12-15)27(25,26)22-8-1-2-9-22;3-1(4)2(5)6/h3-5,12,14H,1-2,6-11,13H2,(H2,19,24)(H,20,23);(H,3,4)(H,5,6)