1-(2-methylphenyl)carbonyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-methylphenyl)carbonyl-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Openeye Name: 1-(2-methylbenzoyl)-N-[3-(1-piperidylsulfonyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(2-methylphenyl)-oxomethyl]-N-[3-(1-piperidinylsulfonyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-methylbenzoyl)-N-(3-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-o-toluoyl-N-(3-piperidinosulfonylphenyl)isonipecotamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H31N3O4S/c1-19-8-3-4-11-23(19)25(30)27-16-12-20(13-17-27)24(29)26-21-9-7-10-22(18-21)33(31,32)28-14-5-2-6-15-28/h3-4,7-11,18,20H,2,5-6,12-17H2,1H3,(H,26,29)