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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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