N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-methyl-N-o-veratryl-1-tosyl-isonipecotamide Formula: C23H30N2O5S MolecularWeight: 446.5597

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S/c1-17-8-10-20(11-9-17)31(27,28)25-14-12-18(13-15-25)23(26)24(2)16-19-6-5-7-21(29-3)22(19)30-4/h5-11,18H,12-16H2,1-4H3