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

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 2-methyl-5-sulfamoyl-benzoate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 2-methyl-5-sulfamoyl-benzoate CAS Name: 2-methyl-5-sulfamoylbenzoic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate Traditional Name: 2-methyl-5-sulfamoyl-benzoic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C20H23NO5S MolecularWeight: 389.46532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)C

InChI

InChI=1S/C20H23NO5S/c1-3-4-5-15-7-9-16(10-8-15)19(22)13-26-20(23)18-12-17(27(21,24)25)11-6-14(18)2/h6-12H,3-5,13H2,1-2H3,(H2,21,24,25)