5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one

Systemtic Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 5-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-4-chloro-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one Traditional Name: 5-[4-(4-tert-butylphenyl)sulfonylpiperazino]-4-chloro-2-phenyl-pyridazin-3-one Formula: C24H27ClN4O3S MolecularWeight: 487.01418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H27ClN4O3S/c1-24(2,3)18-9-11-20(12-10-18)33(31,32)28-15-13-27(14-16-28)21-17-26-29(23(30)22(21)25)19-7-5-4-6-8-19/h4-12,17H,13-16H2,1-3H3