2-(4-fluorophenyl)sulfanyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-fluorophenyl)sulfanyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-[(4-fluorophenyl)thio]-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-fluorophenyl)sulfanyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-[(4-fluorophenyl)thio]-1-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]ethanone Formula: C21H25FN2O3S2 MolecularWeight: 436.563203

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CSC3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O3S2/c1-29(26,27)20-9-3-17(4-10-20)15-23-11-2-12-24(14-13-23)21(25)16-28-19-7-5-18(22)6-8-19/h3-10H,2,11-16H2,1H3