3-azanyl-4-[3-(dimethylamino)propylamino]-5-sulfamoyl-benzoic acid

Systemtic Name: 3-azanyl-4-[3-(dimethylamino)propylamino]-5-sulfamoyl-benzoic acid Openeye Name: 3-amino-4-[3-(dimethylamino)propylamino]-5-sulfamoyl-benzoic acid CAS Name: 3-amino-4-[3-(dimethylamino)propylamino]-5-sulfamoylbenzoic acid IUPAC Name: 3-amino-4-[3-(dimethylamino)propylamino]-5-sulfamoylbenzoic acid Traditional Name: 3-amino-4-[3-(dimethylamino)propylamino]-5-sulfamoyl-benzoic acid Formula: C12H20N4O4S MolecularWeight: 316.3766

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)N

Isomeric SMILES

CN(C)CCCNC1=C(C=C(C=C1S(=O)(=O)N)C(=O)O)N

InChI

InChI=1S/C12H20N4O4S/c1-16(2)5-3-4-15-11-9(13)6-8(12(17)18)7-10(11)21(14,19)20/h6-7,15H,3-5,13H2,1-2H3,(H,17,18)(H2,14,19,20)