[2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 3,4-dimethyl-5-sulfamoyl-benzoate

Systemtic Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxidanylidene-ethyl] 3,4-dimethyl-5-sulfamoyl-benzoate Openeye Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxo-ethyl] 3,4-dimethyl-5-sulfamoyl-benzoate CAS Name: 3,4-dimethyl-5-sulfamoylbenzoic acid [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl] 3,4-dimethyl-5-sulfamoylbenzoate Traditional Name: 3,4-dimethyl-5-sulfamoyl-benzoic acid [2-[1-(4-bromophenyl)ethylamino]-2-keto-ethyl] ester Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)OCC(=O)NC(C)C2=CC=C(C=C2)Br)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)OCC(=O)NC(C)C2=CC=C(C=C2)Br)S(=O)(=O)N)C

InChI

InChI=1S/C19H21BrN2O5S/c1-11-8-15(9-17(12(11)2)28(21,25)26)19(24)27-10-18(23)22-13(3)14-4-6-16(20)7-5-14/h4-9,13H,10H2,1-3H3,(H,22,23)(H2,21,25,26)