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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-homoveratryl-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H30N2O6S/c1-29-19-5-7-20(8-6-19)32(27,28)25-14-11-18(12-15-25)23(26)24-13-10-17-4-9-21(30-2)22(16-17)31-3/h4-9,16,18H,10-15H2,1-3H3,(H,24,26)