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

Systemtic Name: (3S)-N-(3-methylbutyl)-1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-isopentyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(3-methylbutyl)-1-[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3-methylbutyl)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-isoamyl-1-[4-(2-ketopyrrolidino)phenyl]sulfonyl-nipecotamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

CC(C)CCNC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C21H31N3O4S/c1-16(2)11-12-22-21(26)17-5-3-13-23(15-17)29(27,28)19-9-7-18(8-10-19)24-14-4-6-20(24)25/h7-10,16-17H,3-6,11-15H2,1-2H3,(H,22,26)/t17-/m0/s1