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

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] (2S)-2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-bromobenzoyl)amino]-3-methyl-butyric acid [2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C21H24BrN3O6S MolecularWeight: 526.40076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C21H24BrN3O6S/c1-12(2)18(25-20(27)16-6-4-5-7-17(16)22)21(28)31-13(3)19(26)24-14-8-10-15(11-9-14)32(23,29)30/h4-13,18H,1-3H3,(H,24,26)(H,25,27)(H2,23,29,30)/t13?,18-/m0/s1