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

Systemtic Name: N-[3-[methyl(phenyl)amino]propyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[3-(N-methylanilino)propyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[3-(N-methylanilino)propyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[3-(N-methylanilino)propyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[3-(N-methylanilino)propyl]-1-tosyl-isonipecotamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S/c1-19-9-11-22(12-10-19)30(28,29)26-17-13-20(14-18-26)23(27)24-15-6-16-25(2)21-7-4-3-5-8-21/h3-5,7-12,20H,6,13-18H2,1-2H3,(H,24,27)