[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-[methyl(phenyl)sulfamoyl]benzoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 4-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 4-[methyl(phenyl)sulfamoyl]benzoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 4-[methyl(phenyl)sulfamoyl]benzoic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-15(2)14-22-20(24)16(3)28-21(25)17-10-12-19(13-11-17)29(26,27)23(4)18-8-6-5-7-9-18/h5-13,15-16H,14H2,1-4H3,(H,22,24)/t16-/m0/s1