(3S)-N-(2-cyanoethyl)-N-methyl-1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2-cyanoethyl)-N-methyl-1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(2-cyanoethyl)-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(2-cyanoethyl)-N-methyl-1-[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(2-cyanoethyl)-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(2-cyanoethyl)-1-[4-(2-ketopyrrolidino)phenyl]sulfonyl-N-methyl-nipecotamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CN(CCC#N)C(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C20H26N4O4S/c1-22(12-4-11-21)20(26)16-5-2-13-23(15-16)29(27,28)18-9-7-17(8-10-18)24-14-3-6-19(24)25/h7-10,16H,2-6,12-15H2,1H3/t16-/m0/s1