6-(4-chlorophenyl)-2-[2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one

Systemtic Name: 6-(4-chlorophenyl)-2-[2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Openeye Name: 6-(4-chlorophenyl)-2-[2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one CAS Name: 6-(4-chlorophenyl)-2-[2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]ethyl]-3-pyridazinone IUPAC Name: 6-(4-chlorophenyl)-2-[2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Traditional Name: 6-(4-chlorophenyl)-2-[2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]ethyl]pyridazin-3-one Formula: C23H24ClN5O5S MolecularWeight: 517.98516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H24ClN5O5S/c1-17-2-7-20(29(31)32)16-22(17)35(33,34)27-13-10-26(11-14-27)12-15-28-23(30)9-8-21(25-28)18-3-5-19(24)6-4-18/h2-9,16H,10-15H2,1H3