6-phenyl-2-[2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one

Systemtic Name: 6-phenyl-2-[2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Openeye Name: 6-phenyl-2-[2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one CAS Name: 6-phenyl-2-[2-[4-(2,4,5-trimethylphenyl)sulfonyl-1-piperazinyl]ethyl]-3-pyridazinone IUPAC Name: 6-phenyl-2-[2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Traditional Name: 6-phenyl-2-[2-[4-(2,4,5-trimethylphenyl)sulfonylpiperazino]ethyl]pyridazin-3-one Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1C)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H30N4O3S/c1-19-17-21(3)24(18-20(19)2)33(31,32)28-14-11-27(12-15-28)13-16-29-25(30)10-9-23(26-29)22-7-5-4-6-8-22/h4-10,17-18H,11-16H2,1-3H3