[1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(m-toluoylamino)butyric acid [2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O6S/c1-13(2)19(25-21(27)16-7-5-6-14(3)12-16)22(28)31-15(4)20(26)24-17-8-10-18(11-9-17)32(23,29)30/h5-13,15,19H,1-4H3,(H,24,26)(H,25,27)(H2,23,29,30)/t15?,19-/m0/s1