2-[3-(dimethylamino)propylamino]-5-sulfamoyl-benzoic acid

Systemtic Name: 2-[3-(dimethylamino)propylamino]-5-sulfamoyl-benzoic acid Openeye Name: 2-[3-(dimethylamino)propylamino]-5-sulfamoyl-benzoic acid CAS Name: 2-[3-(dimethylamino)propylamino]-5-sulfamoylbenzoic acid IUPAC Name: 2-[3-(dimethylamino)propylamino]-5-sulfamoylbenzoic acid Traditional Name: 2-[3-(dimethylamino)propylamino]-5-sulfamoyl-benzoic acid Formula: C12H19N3O4S MolecularWeight: 301.36196

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CN(C)CCCNC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C12H19N3O4S/c1-15(2)7-3-6-14-11-5-4-9(20(13,18)19)8-10(11)12(16)17/h4-5,8,14H,3,6-7H2,1-2H3,(H,16,17)(H2,13,18,19)