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

Systemtic Name: (3S)-1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonyl-N-(phenylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-1-[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-benzyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[4-(2-ketopyrrolidino)phenyl]sulfonyl-nipecotamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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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=C4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O4S/c27-22-9-5-15-26(22)20-10-12-21(13-11-20)31(29,30)25-14-4-8-19(17-25)23(28)24-16-18-6-2-1-3-7-18/h1-3,6-7,10-13,19H,4-5,8-9,14-17H2,(H,24,28)/t19-/m0/s1