[1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-oxidanyl-5-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-oxidanyl-5-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(4-ethylanilino)-1-methyl-2-oxo-ethyl] 2-hydroxy-5-(2-thienylsulfonylamino)benzoate CAS Name: 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylanilino)-1-oxopropan-2-yl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-hydroxy-5-(2-thienylsulfonylamino)benzoic acid [2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O6S2 MolecularWeight: 474.54988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)O

InChI

InChI=1S/C22H22N2O6S2/c1-3-15-6-8-16(9-7-15)23-21(26)14(2)30-22(27)18-13-17(10-11-19(18)25)24-32(28,29)20-5-4-12-31-20/h4-14,24-25H,3H2,1-2H3,(H,23,26)