2-[2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one

Systemtic Name: 2-[2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one Openeye Name: 2-[2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-6-(p-tolyl)pyridazin-3-one CAS Name: 2-[2-[4-(4-bromophenyl)sulfonyl-1-piperazinyl]ethyl]-6-(4-methylphenyl)-3-pyridazinone IUPAC Name: 2-[2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one Traditional Name: 2-[2-(4-brosylpiperazino)ethyl]-6-(p-tolyl)pyridazin-3-one Formula: C23H25BrN4O3S MolecularWeight: 517.4386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H25BrN4O3S/c1-18-2-4-19(5-3-18)22-10-11-23(29)28(25-22)17-14-26-12-15-27(16-13-26)32(30,31)21-8-6-20(24)7-9-21/h2-11H,12-17H2,1H3