[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate

Systemtic Name: [2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate Openeye Name: [2-(2-ethylanilino)-2-oxo-ethyl] 4-[[(1S)-1-methylpropyl]sulfamoyl]benzoate CAS Name: 4-[[(2S)-butan-2-yl]sulfamoyl]benzoic acid [2-(2-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylanilino)-2-oxoethyl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate Traditional Name: 4-[[(1S)-1-methylpropyl]sulfamoyl]benzoic acid [2-(2-ethylanilino)-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NC(C)CC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N[C@@H](C)CC

InChI

InChI=1S/C21H26N2O5S/c1-4-15(3)23-29(26,27)18-12-10-17(11-13-18)21(25)28-14-20(24)22-19-9-7-6-8-16(19)5-2/h6-13,15,23H,4-5,14H2,1-3H3,(H,22,24)/t15-/m0/s1