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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H30N2O5S/c1-17-6-9-20(10-7-17)31(27,28)25-14-4-5-19(16-25)23(26)24-13-12-18-8-11-21(29-2)22(15-18)30-3/h6-11,15,19H,4-5,12-14,16H2,1-3H3,(H,24,26)