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

Systemtic Name: 2-(4-methylphenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(p-tolylsulfanyl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-[(4-methylphenyl)thio]ethanone IUPAC Name: 2-(4-methylphenyl)sulfanyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(p-tolylthio)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c1-17-4-8-19(9-5-17)27-16-21(24)22-12-3-13-23(15-14-22)28(25,26)20-10-6-18(2)7-11-20/h4-11H,3,12-16H2,1-2H3