[(2S)-1-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl] benzoate

Systemtic Name: [(2S)-1-[[3-(diethylsulfamoyl)-4-methyl-phenyl]amino]-1-oxidanylidene-propan-2-yl] benzoate Openeye Name: [(1S)-2-[3-(diethylsulfamoyl)-4-methyl-anilino]-1-methyl-2-oxo-ethyl] benzoate CAS Name: benzoic acid [(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] benzoate Traditional Name: benzoic acid [(1S)-2-[3-(diethylsulfamoyl)-4-methyl-anilino]-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C(C)OC(=O)C2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-5-23(6-2)29(26,27)19-14-18(13-12-15(19)3)22-20(24)16(4)28-21(25)17-10-8-7-9-11-17/h7-14,16H,5-6H2,1-4H3,(H,22,24)/t16-/m0/s1