[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoate CAS Name: 5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoic acid [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 5-[(4-butylphenyl)sulfamoyl]-2-methylbenzoate Traditional Name: 5-[(4-butylphenyl)sulfamoyl]-2-methyl-benzoic acid [2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C29H33N3O6S MolecularWeight: 551.65382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C29H33N3O6S/c1-5-6-7-22-9-11-25(12-10-22)32-39(36,37)26-17-8-19(2)27(18-26)29(35)38-20(3)28(34)31-24-15-13-23(14-16-24)30-21(4)33/h8-18,20,32H,5-7H2,1-4H3,(H,30,33)(H,31,34)