4,5-bis(chloranyl)-2-[4-(4-phenethylpiperidin-1-yl)sulfonylphenyl]pyridazin-3-one

Systemtic Name: 4,5-bis(chloranyl)-2-[4-(4-phenethylpiperidin-1-yl)sulfonylphenyl]pyridazin-3-one Openeye Name: 4,5-dichloro-2-[4-[(4-phenethyl-1-piperidyl)sulfonyl]phenyl]pyridazin-3-one CAS Name: 4,5-dichloro-2-[4-[(4-phenethyl-1-piperidinyl)sulfonyl]phenyl]-3-pyridazinone IUPAC Name: 4,5-dichloro-2-[4-(4-phenethylpiperidin-1-yl)sulfonylphenyl]pyridazin-3-one Traditional Name: 4,5-dichloro-2-[4-(4-phenethylpiperidino)sulfonylphenyl]pyridazin-3-one Formula: C23H23Cl2N3O3S MolecularWeight: 492.41802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C(=C(C=N4)Cl)Cl

Isomeric SMILES

C1CN(CCC1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C(=C(C=N4)Cl)Cl

InChI

InChI=1S/C23H23Cl2N3O3S/c24-21-16-26-28(23(29)22(21)25)19-8-10-20(11-9-19)32(30,31)27-14-12-18(13-15-27)7-6-17-4-2-1-3-5-17/h1-5,8-11,16,18H,6-7,12-15H2