[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 2-[(5-bromo-2-thienyl)sulfonylamino]benzoate CAS Name: 2-[(5-bromo-2-thiophenyl)sulfonylamino]benzoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(5-bromothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 2-[(5-bromo-2-thienyl)sulfonylamino]benzoic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H21BrN2O5S2 MolecularWeight: 537.44654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C22H21BrN2O5S2/c1-3-15-8-10-16(11-9-15)24-21(26)14(2)30-22(27)17-6-4-5-7-18(17)25-32(28,29)20-13-12-19(23)31-20/h4-14,25H,3H2,1-2H3,(H,24,26)