[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoic acid [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-[(4-butylphenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]-4-methyl-benzoic acid [2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C29H33N3O6S MolecularWeight: 551.65382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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