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

Systemtic Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(p-tolylsulfanyl)ethanone CAS Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-[(4-methylphenyl)thio]ethanone IUPAC Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methylphenyl)sulfanylethanone Traditional Name: 1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(p-tolylthio)ethanone Formula: C20H23FN2O3S2 MolecularWeight: 422.536623

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O3S2/c1-16-3-7-18(8-4-16)27-15-20(24)22-11-2-12-23(14-13-22)28(25,26)19-9-5-17(21)6-10-19/h3-10H,2,11-15H2,1H3