1-[(3-methylphenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-methylphenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Openeye Name: 1-(m-tolylmethyl)-N-[4-(1-piperidylsulfonyl)phenyl]piperidine-4-carboxamide CAS Name: 1-[(3-methylphenyl)methyl]-N-[4-(1-piperidinylsulfonyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-methylphenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3-methylbenzyl)-N-(4-piperidinosulfonylphenyl)isonipecotamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H33N3O3S/c1-20-6-5-7-21(18-20)19-27-16-12-22(13-17-27)25(29)26-23-8-10-24(11-9-23)32(30,31)28-14-3-2-4-15-28/h5-11,18,22H,2-4,12-17,19H2,1H3,(H,26,29)