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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-chlorophenyl)sulfonyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-chlorophenyl)sulfonyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(4-chlorophenyl)sulfonylacetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(4-chlorophenyl)sulfonylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(4-chlorophenyl)sulfonyl-acetamide Formula: C21H25ClN2O5S2 MolecularWeight: 485.0166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25ClN2O5S2/c1-16-6-9-18(14-20(16)31(28,29)24-12-4-2-3-5-13-24)23-21(25)15-30(26,27)19-10-7-17(22)8-11-19/h6-11,14H,2-5,12-13,15H2,1H3,(H,23,25)