N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-homopiperonyl-1-(4-methoxyphenyl)sulfonyl-isonipecotamide Formula: C22H26N2O6S MolecularWeight: 446.51664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O6S/c1-28-18-3-5-19(6-4-18)31(26,27)24-12-9-17(10-13-24)22(25)23-11-8-16-2-7-20-21(14-16)30-15-29-20/h2-7,14,17H,8-13,15H2,1H3,(H,23,25)