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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

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