3-[3-(diethylazaniumyl)propylsulfamoyl]benzoate

Systemtic Name: 3-[3-(diethylazaniumyl)propylsulfamoyl]benzoate Openeye Name: 3-[3-(diethylammonio)propylsulfamoyl]benzoate CAS Name: 3-[3-(diethylammonio)propylsulfamoyl]benzoate IUPAC Name: 3-[3-(diethylazaniumyl)propylsulfamoyl]benzoate Traditional Name: 3-[3-(diethylammonio)propylsulfamoyl]benzoate Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCCNS(=O)(=O)C1=CC=CC(=C1)C(=O)[O-]

InChI

InChI=1S/C14H22N2O4S/c1-3-16(4-2)10-6-9-15-21(19,20)13-8-5-7-12(11-13)14(17)18/h5,7-8,11,15H,3-4,6,9-10H2,1-2H3,(H,17,18)