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

Systemtic Name: (3S)-1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-N-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl-N-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-[4-(2-ketopyrrolidino)phenyl]sulfonyl-N-(2-pyridylmethyl)nipecotamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C22H26N4O4S/c27-21-7-4-14-26(21)19-8-10-20(11-9-19)31(29,30)25-13-3-5-17(16-25)22(28)24-15-18-6-1-2-12-23-18/h1-2,6,8-12,17H,3-5,7,13-16H2,(H,24,28)/t17-/m0/s1