2-(3-chlorophenyl)-4-(cyclopropylmethoxy)-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridazin-3-one

Systemtic Name: 2-(3-chlorophenyl)-4-(cyclopropylmethoxy)-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridazin-3-one Openeye Name: 5-(4-benzylsulfonylpiperazin-1-yl)-2-(3-chlorophenyl)-4-(cyclopropylmethoxy)pyridazin-3-one CAS Name: 2-(3-chlorophenyl)-4-(cyclopropylmethoxy)-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-3-pyridazinone IUPAC Name: 5-(4-benzylsulfonylpiperazin-1-yl)-2-(3-chlorophenyl)-4-(cyclopropylmethoxy)pyridazin-3-one Traditional Name: 5-(4-benzylsulfonylpiperazino)-2-(3-chlorophenyl)-4-(cyclopropylmethoxy)pyridazin-3-one Formula: C25H27ClN4O4S MolecularWeight: 515.02428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC2=C(C=NN(C2=O)C3=CC(=CC=C3)Cl)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CC1COC2=C(C=NN(C2=O)C3=CC(=CC=C3)Cl)N4CCN(CC4)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H27ClN4O4S/c26-21-7-4-8-22(15-21)30-25(31)24(34-17-19-9-10-19)23(16-27-30)28-11-13-29(14-12-28)35(32,33)18-20-5-2-1-3-6-20/h1-8,15-16,19H,9-14,17-18H2