N-(1,3-benzodioxol-5-yl)-1-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[oxo-[2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)isonipecotamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)N4CCC(CC4)C(=O)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N3C=CC=C3)C(=O)N4CCC(CC4)C(=O)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H27N3O4S/c30-24(27-18-7-8-20-21(15-18)33-16-32-20)17-9-13-28(14-10-17)25(31)23-19-5-1-2-6-22(19)34-26(23)29-11-3-4-12-29/h3-4,7-8,11-12,15,17H,1-2,5-6,9-10,13-14,16H2,(H,27,30)