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

Systemtic Name: 6-(4-chlorophenyl)-2-[2-[4-(2-ethoxy-5-propan-2-yl-phenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Openeye Name: 6-(4-chlorophenyl)-2-[2-[4-(2-ethoxy-5-isopropyl-phenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one CAS Name: 6-(4-chlorophenyl)-2-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonyl-1-piperazinyl]ethyl]-3-pyridazinone IUPAC Name: 6-(4-chlorophenyl)-2-[2-[4-(2-ethoxy-5-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one Traditional Name: 6-(4-chlorophenyl)-2-[2-[4-(2-ethoxy-5-isopropyl-phenyl)sulfonylpiperazino]ethyl]pyridazin-3-one Formula: C27H33ClN4O4S MolecularWeight: 545.09332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)C)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C)C)S(=O)(=O)N2CCN(CC2)CCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H33ClN4O4S/c1-4-36-25-11-7-22(20(2)3)19-26(25)37(34,35)31-16-13-30(14-17-31)15-18-32-27(33)12-10-24(29-32)21-5-8-23(28)9-6-21/h5-12,19-20H,4,13-18H2,1-3H3