[2-[(4-methyl-3-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [2-[(4-methyl-3-sulfamoyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [2-(4-methyl-3-sulfamoyl-anilino)-2-oxo-ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [2-keto-2-(4-methyl-3-sulfamoyl-anilino)ethyl] ester Formula: C22H28N2O7S MolecularWeight: 464.53192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N)OCC

InChI

InChI=1S/C22H28N2O7S/c1-4-6-11-30-18-10-8-16(12-19(18)29-5-2)22(26)31-14-21(25)24-17-9-7-15(3)20(13-17)32(23,27)28/h7-10,12-13H,4-6,11,14H2,1-3H3,(H,24,25)(H2,23,27,28)