methyl 4-methyl-3-[[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]amino]benzoate

Systemtic Name: methyl 4-methyl-3-[[(2R)-1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl]amino]benzoate Openeye Name: methyl 4-methyl-3-[[(1R)-1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl]amino]benzoate CAS Name: 4-methyl-3-[[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]amino]benzoate Traditional Name: 3-[[(1R)-2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-11-4-5-13(18(23)26-3)10-16(11)20-12(2)17(22)21-14-6-8-15(9-7-14)27(19,24)25/h4-10,12,20H,1-3H3,(H,21,22)(H2,19,24,25)/t12-/m1/s1