N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methylsulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methylsulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-methylsulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(methylthio)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-methylsulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(methylthio)acetamide Formula: C16H24N2O3S2 MolecularWeight: 356.50336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C16H24N2O3S2/c1-13-7-8-14(17-16(19)12-22-2)11-15(13)23(20,21)18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,17,19)