3-[(2-methylphenyl)methylsulfonyl]-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[(2-methylphenyl)methylsulfonyl]-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one Openeye Name: 1-[4-(6-morpholinopyridazin-3-yl)piperazin-1-yl]-3-(o-tolylmethylsulfonyl)propan-1-one CAS Name: 3-[(2-methylphenyl)methylsulfonyl]-1-[4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-[(2-methylphenyl)methylsulfonyl]-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(2-methylbenzyl)sulfonyl-1-[4-(6-morpholinopyridazin-3-yl)piperazino]propan-1-one Formula: C23H31N5O4S MolecularWeight: 473.58834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)CCC(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)CCC(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H31N5O4S/c1-19-4-2-3-5-20(19)18-33(30,31)17-8-23(29)28-11-9-26(10-12-28)21-6-7-22(25-24-21)27-13-15-32-16-14-27/h2-7H,8-18H2,1H3