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

Systemtic Name: 4-chloranyl-2-[3-(dimethylamino)propylamino]-5-sulfamoyl-benzoic acid Openeye Name: 4-chloro-2-[3-(dimethylamino)propylamino]-5-sulfamoyl-benzoic acid CAS Name: 4-chloro-2-[3-(dimethylamino)propylamino]-5-sulfamoylbenzoic acid IUPAC Name: 4-chloro-2-[3-(dimethylamino)propylamino]-5-sulfamoylbenzoic acid Traditional Name: 4-chloro-2-[3-(dimethylamino)propylamino]-5-sulfamoyl-benzoic acid Formula: C12H18ClN3O4S MolecularWeight: 335.80702

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

CN(C)CCCNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C12H18ClN3O4S/c1-16(2)5-3-4-15-10-7-9(13)11(21(14,19)20)6-8(10)12(17)18/h6-7,15H,3-5H2,1-2H3,(H,17,18)(H2,14,19,20)