2-[(3-methylphenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(m-tolylmethylsulfanyl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(3-methylphenyl)methylthio]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-[(3-methylphenyl)methylsulfanyl]-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(3-methylbenzyl)thio]-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S2/c1-18-7-9-21(10-8-18)29(26,27)24-12-4-11-23(13-14-24)22(25)17-28-16-20-6-3-5-19(2)15-20/h3,5-10,15H,4,11-14,16-17H2,1-2H3