2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C21H25BrN2O3S2 MolecularWeight: 497.4688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C21H25BrN2O3S2/c1-15-4-5-16(2)20(12-15)29(26,27)24-10-8-23(9-11-24)21(25)14-28-19-7-6-18(22)13-17(19)3/h4-7,12-13H,8-11,14H2,1-3H3