[4-chloranyl-2-(2,5-dimethylpyrrol-1-yl)phenyl] 4-bromanylbenzenesulfonate

Systemtic Name: [4-chloranyl-2-(2,5-dimethylpyrrol-1-yl)phenyl] 4-bromanylbenzenesulfonate Openeye Name: [4-chloro-2-(2,5-dimethylpyrrol-1-yl)phenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [4-chloro-2-(2,5-dimethyl-1-pyrrolyl)phenyl] ester IUPAC Name: [4-chloro-2-(2,5-dimethylpyrrol-1-yl)phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [4-chloro-2-(2,5-dimethylpyrrol-1-yl)phenyl] ester Formula: C18H15BrClNO3S MolecularWeight: 440.7386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(N1C2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C18H15BrClNO3S/c1-12-3-4-13(2)21(12)17-11-15(20)7-10-18(17)24-25(22,23)16-8-5-14(19)6-9-16/h3-11H,1-2H3