2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1H-pyridazine-3,6-dione

Systemtic Name: 2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1H-pyridazine-3,6-dione Openeye Name: 2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-1H-pyridazine-3,6-dione CAS Name: 2-[2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-1H-pyridazine-3,6-dione IUPAC Name: 2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione Traditional Name: 2-[2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]-1H-pyridazine-3,6-quinone Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C=CC(=O)N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3C(=O)C=CC(=O)N3)C

InChI

InChI=1S/C18H22N4O5S/c1-13-3-4-15(11-14(13)2)28(26,27)21-9-7-20(8-10-21)18(25)12-22-17(24)6-5-16(23)19-22/h3-6,11H,7-10,12H2,1-2H3,(H,19,23)