2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-bromo-2-methyl-phenyl)sulfanyl-ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(4-bromo-2-methylphenyl)thio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-bromo-2-methylphenyl)sulfanylethanone Traditional Name: 1-(4-besylpiperazino)-2-[(4-bromo-2-methyl-phenyl)thio]ethanone Formula: C19H21BrN2O3S2 MolecularWeight: 469.41564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O3S2/c1-15-13-16(20)7-8-18(15)26-14-19(23)21-9-11-22(12-10-21)27(24,25)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3