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

Systemtic Name: [(2S)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(diethylsulfamoyl)-4-methyl-benzoate Openeye Name: [(1S)-2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 3-(diethylsulfamoyl)-4-methyl-benzoate CAS Name: 3-(diethylsulfamoyl)-4-methylbenzoic acid [(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-methylbenzoate Traditional Name: 3-(diethylsulfamoyl)-4-methyl-benzoic acid [(1S)-2-(4-chloroanilino)-2-keto-1-methyl-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)Cl)C

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)Cl)C

InChI

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