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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCCC(C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

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