[2-[4-(4-bromophenyl)phenyl]-2-oxidanylidene-ethyl] 2-methyl-5-sulfamoyl-benzoate

Systemtic Name: [2-[4-(4-bromophenyl)phenyl]-2-oxidanylidene-ethyl] 2-methyl-5-sulfamoyl-benzoate Openeye Name: [2-[4-(4-bromophenyl)phenyl]-2-oxo-ethyl] 2-methyl-5-sulfamoyl-benzoate CAS Name: 2-methyl-5-sulfamoylbenzoic acid [2-[4-(4-bromophenyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-bromophenyl)phenyl]-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate Traditional Name: 2-methyl-5-sulfamoyl-benzoic acid [2-[4-(4-bromophenyl)phenyl]-2-keto-ethyl] ester Formula: C22H18BrNO5S MolecularWeight: 488.35102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H18BrNO5S/c1-14-2-11-19(30(24,27)28)12-20(14)22(26)29-13-21(25)17-5-3-15(4-6-17)16-7-9-18(23)10-8-16/h2-12H,13H2,1H3,(H2,24,27,28)