1-(1-methylpyrrol-3-yl)sulfonyl-N-(1-phenylbutyl)piperidine-4-carboxamide

Systemtic Name: 1-(1-methylpyrrol-3-yl)sulfonyl-N-(1-phenylbutyl)piperidine-4-carboxamide Openeye Name: 1-(1-methylpyrrol-3-yl)sulfonyl-N-(1-phenylbutyl)piperidine-4-carboxamide CAS Name: 1-[(1-methyl-3-pyrrolyl)sulfonyl]-N-(1-phenylbutyl)-4-piperidinecarboxamide IUPAC Name: 1-(1-methylpyrrol-3-yl)sulfonyl-N-(1-phenylbutyl)piperidine-4-carboxamide Traditional Name: 1-(1-methylpyrrol-3-yl)sulfonyl-N-(1-phenylbutyl)isonipecotamide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C=C3)C

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C=C3)C

InChI

InChI=1S/C21H29N3O3S/c1-3-7-20(17-8-5-4-6-9-17)22-21(25)18-10-14-24(15-11-18)28(26,27)19-12-13-23(2)16-19/h4-6,8-9,12-13,16,18,20H,3,7,10-11,14-15H2,1-2H3,(H,22,25)