[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-(propan-2-ylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-(propan-2-ylsulfamoyl)benzoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 2-bromo-5-(isopropylsulfamoyl)benzoate CAS Name: 2-bromo-5-(propan-2-ylsulfamoyl)benzoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-bromo-5-(propan-2-ylsulfamoyl)benzoate Traditional Name: 2-bromo-5-(isopropylsulfamoyl)benzoic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C20H23BrN2O5S MolecularWeight: 483.37602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC(C)C)Br

InChI

InChI=1S/C20H23BrN2O5S/c1-12(2)23-29(26,27)16-9-10-18(21)17(11-16)20(25)28-14(4)19(24)22-15-7-5-13(3)6-8-15/h5-12,14,23H,1-4H3,(H,22,24)/t14-/m0/s1