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

Systemtic Name: 6-(4-methylphenyl)-2-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Openeye Name: 2-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]-6-(p-tolyl)pyridazin-3-one CAS Name: 6-(4-methylphenyl)-2-[2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]ethyl]-3-pyridazinone IUPAC Name: 6-(4-methylphenyl)-2-[2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Traditional Name: 2-[2-[4-(2-nitrophenyl)sulfonylpiperazino]ethyl]-6-(p-tolyl)pyridazin-3-one Formula: C23H25N5O5S MolecularWeight: 483.5401

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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=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O5S/c1-18-6-8-19(9-7-18)20-10-11-23(29)27(24-20)17-14-25-12-15-26(16-13-25)34(32,33)22-5-3-2-4-21(22)28(30)31/h2-11H,12-17H2,1H3