N-(3-methyl-2-phenylazanyl-butyl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-methyl-2-phenylazanyl-butyl)-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-anilino-3-methyl-butyl)-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-anilino-3-methylbutyl)-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-(2-anilino-3-methylbutyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(2-anilino-3-methyl-butyl)-1-(3-pyridylsulfonyl)isonipecotamide Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CC=C2)NC3=CC=CC=C3

Isomeric SMILES

CC(C)C(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CN=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O3S/c1-17(2)21(25-19-7-4-3-5-8-19)16-24-22(27)18-10-13-26(14-11-18)30(28,29)20-9-6-12-23-15-20/h3-9,12,15,17-18,21,25H,10-11,13-14,16H2,1-2H3,(H,24,27)