3-[[4-[2-(diethylazaniumyl)ethylcarbamoyl]phenyl]sulfamoyl]-4-methoxy-benzoate

Systemtic Name: 3-[[4-[2-(diethylazaniumyl)ethylcarbamoyl]phenyl]sulfamoyl]-4-methoxy-benzoate Openeye Name: 3-[[4-[2-(diethylammonio)ethylcarbamoyl]phenyl]sulfamoyl]-4-methoxy-benzoate CAS Name: 3-[[4-[[2-(diethylammonio)ethylamino]-oxomethyl]phenyl]sulfamoyl]-4-methoxybenzoate IUPAC Name: 3-[[4-[2-(diethylazaniumyl)ethylcarbamoyl]phenyl]sulfamoyl]-4-methoxybenzoate Traditional Name: 3-[[4-[2-(diethylammonio)ethylcarbamoyl]phenyl]sulfamoyl]-4-methoxy-benzoate Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])OC

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)[O-])OC

InChI

InChI=1S/C21H27N3O6S/c1-4-24(5-2)13-12-22-20(25)15-6-9-17(10-7-15)23-31(28,29)19-14-16(21(26)27)8-11-18(19)30-3/h6-11,14,23H,4-5,12-13H2,1-3H3,(H,22,25)(H,26,27)