1-[(2-methylphenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide

Systemtic Name: 1-[(2-methylphenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide Openeye Name: 1-(o-tolylmethyl)-N-[4-(1-piperidylsulfonyl)phenyl]piperidine-3-carboxamide CAS Name: 1-[(2-methylphenyl)methyl]-N-[4-(1-piperidinylsulfonyl)phenyl]-3-piperidinecarboxamide IUPAC Name: 1-[(2-methylphenyl)methyl]-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide Traditional Name: 1-(2-methylbenzyl)-N-(4-piperidinosulfonylphenyl)nipecotamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H33N3O3S/c1-20-8-3-4-9-21(20)18-27-15-7-10-22(19-27)25(29)26-23-11-13-24(14-12-23)32(30,31)28-16-5-2-6-17-28/h3-4,8-9,11-14,22H,2,5-7,10,15-19H2,1H3,(H,26,29)