N-[(2-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(2-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonyl-piperidine-3-carboxamide Openeye Name: 1-[(4-methyl-1-piperidyl)sulfonyl]-N-(o-tolylmethyl)piperidine-3-carboxamide CAS Name: N-[(2-methylphenyl)methyl]-1-[(4-methyl-1-piperidinyl)sulfonyl]-3-piperidinecarboxamide IUPAC Name: N-[(2-methylphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(2-methylbenzyl)-1-(4-methylpiperidino)sulfonyl-nipecotamide Formula: C20H31N3O3S MolecularWeight: 393.54344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)N2CCCC(C2)C(=O)NCC3=CC=CC=C3C

InChI

InChI=1S/C20H31N3O3S/c1-16-9-12-22(13-10-16)27(25,26)23-11-5-8-19(15-23)20(24)21-14-18-7-4-3-6-17(18)2/h3-4,6-7,16,19H,5,8-15H2,1-2H3,(H,21,24)