N-[(2,5-dimethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2,5-dimethoxybenzyl)-1-tosyl-isonipecotamide Formula: C22H28N2O5S MolecularWeight: 432.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H28N2O5S/c1-16-4-7-20(8-5-16)30(26,27)24-12-10-17(11-13-24)22(25)23-15-18-14-19(28-2)6-9-21(18)29-3/h4-9,14,17H,10-13,15H2,1-3H3,(H,23,25)