N-[[1-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[1-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[[1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-piperidyl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-piperidinyl]methyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[[1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[[1-[(5-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]-4-piperidyl]methyl]-2-(methylthio)nicotinamide Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCC2CCN(CC2)CC3COC4=C(O3)C(=CC=C4)Cl

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCC2CCN(CC2)CC3COC4=C(O3)C(=CC=C4)Cl

InChI

InChI=1S/C22H26ClN3O3S/c1-30-22-17(4-3-9-24-22)21(27)25-12-15-7-10-26(11-8-15)13-16-14-28-19-6-2-5-18(23)20(19)29-16/h2-6,9,15-16H,7-8,10-14H2,1H3,(H,25,27)