N-butan-2-yl-1-(1-methylpyrrol-3-yl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: N-butan-2-yl-1-(1-methylpyrrol-3-yl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-sec-butyl-piperidine-4-carboxamide CAS Name: N-butan-2-yl-1-[(1-methyl-3-pyrrolyl)sulfonyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-butan-2-yl-1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-benzyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-sec-butyl-isonipecotamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C=C3)C

Isomeric SMILES

CCC(C)N(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C=C3)C

InChI

InChI=1S/C22H31N3O3S/c1-4-18(2)25(16-19-8-6-5-7-9-19)22(26)20-10-14-24(15-11-20)29(27,28)21-12-13-23(3)17-21/h5-9,12-13,17-18,20H,4,10-11,14-16H2,1-3H3