2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(4-chlorophenyl)methylthio]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(4-chlorobenzyl)thio]-1-(4-tosyl-1,4-diazepan-1-yl)ethanone 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)CSCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O3S2/c1-17-3-9-20(10-4-17)29(26,27)24-12-2-11-23(13-14-24)21(25)16-28-15-18-5-7-19(22)8-6-18/h3-10H,2,11-16H2,1H3