[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-[4-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-[6-(4-methoxyphenyl)-3-pyridazinyl]-1-piperazinyl]-[4-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazino]-(4-piperidinosulfonylphenyl)methanone Formula: C27H31N5O4S MolecularWeight: 521.63114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C27H31N5O4S/c1-36-23-9-5-21(6-10-23)25-13-14-26(29-28-25)30-17-19-31(20-18-30)27(33)22-7-11-24(12-8-22)37(34,35)32-15-3-2-4-16-32/h5-14H,2-4,15-20H2,1H3