1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-methylsulfanyl-propan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-methylsulfanyl-propan-1-one Openeye Name: 3-methylsulfanyl-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-(methylthio)-1-propanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-3-methylsulfanylpropan-1-one Traditional Name: 3-(methylthio)-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C16H24N2O3S2 MolecularWeight: 356.50336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCSC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCSC

InChI

InChI=1S/C16H24N2O3S2/c1-14-4-6-15(7-5-14)23(20,21)18-10-3-9-17(11-12-18)16(19)8-13-22-2/h4-7H,3,8-13H2,1-2H3