N-[3-[methyl-(phenylmethyl)amino]propyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3-[methyl-(phenylmethyl)amino]propyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-[benzyl(methyl)amino]propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-[methyl-(phenylmethyl)amino]propyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-[benzyl(methyl)amino]propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-[benzyl(methyl)amino]propyl]-1-tosyl-isonipecotamide Formula: C24H33N3O3S MolecularWeight: 443.60212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN(C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCN(C)CC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O3S/c1-20-9-11-23(12-10-20)31(29,30)27-17-13-22(14-18-27)24(28)25-15-6-16-26(2)19-21-7-4-3-5-8-21/h3-5,7-12,22H,6,13-19H2,1-2H3,(H,25,28)