N-(1,3-benzodioxol-5-yl)-2-[3-[4-(phenylmethyl)piperidin-1-yl]carbonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-[4-(phenylmethyl)piperidin-1-yl]carbonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-benzylpiperidine-1-carbonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(4-benzylpiperidine-1-carbonyl)pyridin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-benzylpiperidine-1-carbonyl)-2-pyridyl]thio]acetamide Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H27N3O4S/c31-25(29-21-8-9-23-24(16-21)34-18-33-23)17-35-26-22(7-4-12-28-26)27(32)30-13-10-20(11-14-30)15-19-5-2-1-3-6-19/h1-9,12,16,20H,10-11,13-15,17-18H2,(H,29,31)