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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-chlorophenyl)sulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[(2-chlorophenyl)thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2-chlorophenyl)sulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[(2-chlorophenyl)thio]acetamide Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25ClN2O3S2/c1-16-10-11-17(23-21(25)15-28-19-9-5-4-8-18(19)22)14-20(16)29(26,27)24-12-6-2-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,23,25)