N-(1,3-benzodioxol-5-yl)-1-[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[2-[(3,4-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-[(3,4-dimethylphenyl)thio]nicotinoyl]isonipecotamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C27H27N3O4S/c1-17-5-7-21(14-18(17)2)35-26-22(4-3-11-28-26)27(32)30-12-9-19(10-13-30)25(31)29-20-6-8-23-24(15-20)34-16-33-23/h3-8,11,14-15,19H,9-10,12-13,16H2,1-2H3,(H,29,31)