[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-chloranyl-3-(cyclopropylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-chloranyl-3-(cyclopropylsulfamoyl)benzoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate CAS Name: 4-chloro-3-(cyclopropylsulfamoyl)benzoic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(cyclopropylsulfamoyl)benzoic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC2CC2

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)NC2CC2

InChI

InChI=1S/C16H21ClN2O5S/c1-9(2)18-15(20)10(3)24-16(21)11-4-7-13(17)14(8-11)25(22,23)19-12-5-6-12/h4,7-10,12,19H,5-6H2,1-3H3,(H,18,20)/t10-/m0/s1