3-(4-chlorophenyl)sulfanyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 3-(4-chlorophenyl)sulfanyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]butan-1-one Openeye Name: 3-(4-chlorophenyl)sulfanyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]butan-1-one CAS Name: 3-[(4-chlorophenyl)thio]-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 3-(4-chlorophenyl)sulfanyl-1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]butan-1-one Traditional Name: 3-[(4-chlorophenyl)thio]-1-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]butan-1-one Formula: C23H29ClN2O3S2 MolecularWeight: 481.07096

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(CC(=O)N1CCCN(CC1)CC2=CC=C(C=C2)S(=O)(=O)C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H29ClN2O3S2/c1-18(30-21-8-6-20(24)7-9-21)16-23(27)26-13-3-12-25(14-15-26)17-19-4-10-22(11-5-19)31(2,28)29/h4-11,18H,3,12-17H2,1-2H3