[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: [4-[6-(o-tolyl)pyridazin-3-yl]piperazin-1-yl]-[4-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-[6-(2-methylphenyl)-3-pyridazinyl]-1-piperazinyl]-[4-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [4-[6-(o-tolyl)pyridazin-3-yl]piperazino]-(4-piperidinosulfonylphenyl)methanone Formula: C27H31N5O3S MolecularWeight: 505.63174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C27H31N5O3S/c1-21-7-3-4-8-24(21)25-13-14-26(29-28-25)30-17-19-31(20-18-30)27(33)22-9-11-23(12-10-22)36(34,35)32-15-5-2-6-16-32/h3-4,7-14H,2,5-6,15-20H2,1H3