[(2S)-1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-azanyl-3-methyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [(2S)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [(1S)-2-keto-1-methyl-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OC(C)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)O[C@@H](C)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C19H23N3O5S/c1-12-4-3-5-16(17(12)20)19(24)27-13(2)18(23)22-11-10-14-6-8-15(9-7-14)28(21,25)26/h3-9,13H,10-11,20H2,1-2H3,(H,22,23)(H2,21,25,26)/t13-/m0/s1