2-(2-diethylaminoethylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 2-(2-diethylaminoethylamino)-5-sulfamoyl-benzoic acid Openeye Name: 2-(2-diethylaminoethylamino)-5-sulfamoyl-benzoic acid CAS Name: 2-(2-diethylaminoethylamino)-5-sulfamoylbenzoic acid IUPAC Name: 2-(2-diethylaminoethylamino)-5-sulfamoylbenzoic acid Traditional Name: 2-(2-diethylaminoethylamino)-5-sulfamoyl-benzoic acid Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CCN(CC)CCNC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C13H21N3O4S/c1-3-16(4-2)8-7-15-12-6-5-10(21(14,19)20)9-11(12)13(17)18/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,17,18)(H2,14,19,20)