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

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 2-methoxy-5-sulfamoyl-benzoate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 2-methoxy-5-sulfamoyl-benzoate CAS Name: 2-methoxy-5-sulfamoylbenzoic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate Traditional Name: 2-methoxy-5-sulfamoyl-benzoic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO6S/c1-3-4-5-14-6-8-15(9-7-14)18(22)13-27-20(23)17-12-16(28(21,24)25)10-11-19(17)26-2/h6-12H,3-5,13H2,1-2H3,(H2,21,24,25)