[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 3-(2-furylmethylsulfamoyl)benzoate CAS Name: 3-(2-furanylmethylsulfamoyl)benzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 3-(furan-2-ylmethylsulfamoyl)benzoate Traditional Name: 3-(2-furfurylsulfamoyl)benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CO2

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC(=CC=C1)S(=O)(=O)NCC2=CC=CO2

InChI

InChI=1S/C18H22N2O6S/c1-3-9-19-17(21)13(2)26-18(22)14-6-4-8-16(11-14)27(23,24)20-12-15-7-5-10-25-15/h4-8,10-11,13,20H,3,9,12H2,1-2H3,(H,19,21)/t13-/m0/s1