[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C26H27BrN2O5S MolecularWeight: 559.47198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C26H27BrN2O5S/c1-3-4-6-19-9-11-21(12-10-19)29-35(32,33)23-8-5-7-20(16-23)26(31)34-17-25(30)28-22-13-14-24(27)18(2)15-22/h5,7-16,29H,3-4,6,17H2,1-2H3,(H,28,30)