[3-[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[(5-chloranyl-6-oxidanylidene-1-propan-2-yl-pyridazin-4-yl)amino]-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3-[(5-chloro-1-isopropyl-6-oxo-pyridazin-4-yl)amino]-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[(5-chloro-6-oxo-1-propan-2-yl-4-pyridazinyl)amino]-2-hydroxypropyl] ester IUPAC Name: [3-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[(5-chloro-1-isopropyl-6-keto-pyridazin-4-yl)amino]-2-hydroxy-propyl] ester Formula: C17H22ClN3O5S MolecularWeight: 415.89168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CNC2=C(C(=O)N(N=C2)C(C)C)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CNC2=C(C(=O)N(N=C2)C(C)C)Cl)O

InChI

InChI=1S/C17H22ClN3O5S/c1-11(2)21-17(23)16(18)15(9-20-21)19-8-13(22)10-26-27(24,25)14-6-4-12(3)5-7-14/h4-7,9,11,13,19,22H,8,10H2,1-3H3