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

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-(diethylsulfamoyl)benzoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 4-chloro-3-(diethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-chloro-3-(diethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(diethylsulfamoyl)benzoic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)C)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)C)Cl

InChI

InChI=1S/C21H25ClN2O5S/c1-5-24(6-2)30(27,28)19-13-16(9-12-18(19)22)21(26)29-15(4)20(25)23-17-10-7-14(3)8-11-17/h7-13,15H,5-6H2,1-4H3,(H,23,25)/t15-/m0/s1