[2-[(E)-2-(3-chloranyl-4-methyl-phenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-bromanylbenzenesulfonate

Systemtic Name: [2-[(E)-2-(3-chloranyl-4-methyl-phenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-bromanylbenzenesulfonate Openeye Name: [2-[(E)-2-(3-chloro-4-methyl-phenyl)vinyl]-4-methyl-6-oxo-1-pyridyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-4-methyl-6-oxo-1-pyridinyl] ester IUPAC Name: [2-[(E)-2-(3-chloro-4-methylphenyl)ethenyl]-4-methyl-6-oxopyridin-1-yl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [2-[(E)-2-(3-chloro-4-methyl-phenyl)vinyl]-6-keto-4-methyl-1-pyridyl] ester Formula: C21H17BrClNO4S MolecularWeight: 494.78598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC2=CC(=CC(=O)N2OS(=O)(=O)C3=CC=C(C=C3)Br)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=O)N2OS(=O)(=O)C3=CC=C(C=C3)Br)C)Cl

InChI

InChI=1S/C21H17BrClNO4S/c1-14-11-18(8-5-16-4-3-15(2)20(23)13-16)24(21(25)12-14)28-29(26,27)19-9-6-17(22)7-10-19/h3-13H,1-2H3/b8-5+