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

Systemtic Name: 2-[2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-1H-pyridazine-3,6-dione Openeye Name: 2-[2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-1H-pyridazine-3,6-dione CAS Name: 2-[2-[4-(4-cyclohexylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-1H-pyridazine-3,6-dione IUPAC Name: 2-[2-[4-(4-cyclohexylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione Traditional Name: 2-[2-[4-(4-cyclohexylphenyl)sulfonylpiperazino]-2-keto-ethyl]-1H-pyridazine-3,6-quinone Formula: C22H28N4O5S MolecularWeight: 460.54652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4C(=O)C=CC(=O)N4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)CN4C(=O)C=CC(=O)N4

InChI

InChI=1S/C22H28N4O5S/c27-20-10-11-21(28)26(23-20)16-22(29)24-12-14-25(15-13-24)32(30,31)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h6-11,17H,1-5,12-16H2,(H,23,27)