[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-sulfamoyl-benzoate

Systemtic Name: [(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-sulfamoyl-benzoate Openeye Name: [(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-chloro-5-sulfamoyl-benzoate CAS Name: 2-chloro-5-sulfamoylbenzoic acid [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate Traditional Name: 2-chloro-5-sulfamoyl-benzoic acid [(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H15ClN2O5S MolecularWeight: 346.7866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl

InChI

InChI=1S/C13H15ClN2O5S/c1-7(12(17)16-8-2-3-8)21-13(18)10-6-9(22(15,19)20)4-5-11(10)14/h4-8H,2-3H2,1H3,(H,16,17)(H2,15,19,20)/t7-/m0/s1