[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-methoxy-5-sulfamoyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-methoxy-5-sulfamoyl-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-methoxy-5-sulfamoyl-benzoate CAS Name: 2-methoxy-5-sulfamoylbenzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-methoxy-5-sulfamoylbenzoate Traditional Name: 2-methoxy-5-sulfamoyl-benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C14H20N2O6S MolecularWeight: 344.3834

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O6S/c1-4-7-16-13(17)9(2)22-14(18)11-8-10(23(15,19)20)5-6-12(11)21-3/h5-6,8-9H,4,7H2,1-3H3,(H,16,17)(H2,15,19,20)/t9-/m0/s1