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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(1-methyl-5-indolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-methylindol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-homoveratryl-1-(1-methylindol-5-yl)sulfonyl-isonipecotamide Formula: C25H31N3O5S MolecularWeight: 485.59574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CN1C=CC2=C1C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H31N3O5S/c1-27-13-9-20-17-21(5-6-22(20)27)34(30,31)28-14-10-19(11-15-28)25(29)26-12-8-18-4-7-23(32-2)24(16-18)33-3/h4-7,9,13,16-17,19H,8,10-12,14-15H2,1-3H3,(H,26,29)