[2-(dimethylamino)-2-oxidanylidene-ethyl] 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoate CAS Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoate Traditional Name: 3-(butylamino)-4-phenoxy-5-sulfamoyl-benzoic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C(=CC(=C1)C(=O)OCC(=O)N(C)C)S(=O)(=O)N)OC2=CC=CC=C2

Isomeric SMILES

CCCCNC1=C(C(=CC(=C1)C(=O)OCC(=O)N(C)C)S(=O)(=O)N)OC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O6S/c1-4-5-11-23-17-12-15(21(26)29-14-19(25)24(2)3)13-18(31(22,27)28)20(17)30-16-9-7-6-8-10-16/h6-10,12-13,23H,4-5,11,14H2,1-3H3,(H2,22,27,28)