4-chloranyl-2-(pyridin-3-ylmethylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-chloranyl-2-(pyridin-3-ylmethylamino)-5-sulfamoyl-benzoic acid Openeye Name: 4-chloro-2-(3-pyridylmethylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-chloro-2-(3-pyridinylmethylamino)-5-sulfamoylbenzoic acid IUPAC Name: 4-chloro-2-(pyridin-3-ylmethylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-chloro-2-(3-pyridylmethylamino)-5-sulfamoyl-benzoic acid Formula: C13H12ClN3O4S MolecularWeight: 341.77008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC(=CN=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C13H12ClN3O4S/c14-10-5-11(17-7-8-2-1-3-16-6-8)9(13(18)19)4-12(10)22(15,20)21/h1-6,17H,7H2,(H,18,19)(H2,15,20,21)