2-(4-chlorophenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 2-[(4-chlorophenyl)thio]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 2-[(4-chlorophenyl)thio]-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)Cl

InChI

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