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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(p-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-(4-methylbenzyl)sulfonyl-N-veratryl-isonipecotamide Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O5S/c1-17-4-6-18(7-5-17)16-31(27,28)25-12-10-20(11-13-25)23(26)24-15-19-8-9-21(29-2)22(14-19)30-3/h4-9,14,20H,10-13,15-16H2,1-3H3,(H,24,26)