[4-(6-propan-2-ylpyrrolo[1,2-b]pyridazin-5-yl)sulfonylphenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-(6-propan-2-ylpyrrolo[1,2-b]pyridazin-5-yl)sulfonylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-(6-isopropylpyrrolo[1,2-b]pyridazin-5-yl)sulfonylphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(6-propan-2-yl-5-pyrrolo[1,2-b]pyridazinyl)sulfonyl]phenyl] ester IUPAC Name: [4-(6-propan-2-ylpyrrolo[1,2-b]pyridazin-5-yl)sulfonylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(6-isopropylpyrrolo[1,2-b]pyridazin-5-yl)sulfonylphenyl] ester Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C3=C4C=CC=NN4C=C3C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)C3=C4C=CC=NN4C=C3C(C)C

InChI

InChI=1S/C23H22N2O5S2/c1-16(2)21-15-25-22(5-4-14-24-25)23(21)31(26,27)19-12-8-18(9-13-19)30-32(28,29)20-10-6-17(3)7-11-20/h4-16H,1-3H3