N-(2-methylpropyl)-1-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methylpropyl)-1-[3-(3-oxidanylidenepiperazin-1-yl)sulfonylphenyl]carbonyl-piperidine-4-carboxamide Openeye Name: N-isobutyl-1-[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide CAS Name: N-(2-methylpropyl)-1-[oxo-[3-[(3-oxo-1-piperazinyl)sulfonyl]phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methylpropyl)-1-[3-(3-oxopiperazin-1-yl)sulfonylbenzoyl]piperidine-4-carboxamide Traditional Name: N-isobutyl-1-[3-(3-ketopiperazino)sulfonylbenzoyl]isonipecotamide Formula: C21H30N4O5S MolecularWeight: 450.5517

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CC(C)CNC(=O)C1CCN(CC1)C(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C21H30N4O5S/c1-15(2)13-23-20(27)16-6-9-24(10-7-16)21(28)17-4-3-5-18(12-17)31(29,30)25-11-8-22-19(26)14-25/h3-5,12,15-16H,6-11,13-14H2,1-2H3,(H,22,26)(H,23,27)