[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] (2S)-3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] (2S)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(p-toluoylamino)butyric acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N

InChI

InChI=1S/C21H25N3O6S/c1-13(2)19(24-20(26)15-9-7-14(3)8-10-15)21(27)30-12-18(25)23-16-5-4-6-17(11-16)31(22,28)29/h4-11,13,19H,12H2,1-3H3,(H,23,25)(H,24,26)(H2,22,28,29)/t19-/m0/s1