4-chloranyl-2-(cyclopenta-1,3-dien-1-ylmethylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-chloranyl-2-(cyclopenta-1,3-dien-1-ylmethylamino)-5-sulfamoyl-benzoic acid Openeye Name: 4-chloro-2-(cyclopenta-1,3-dien-1-ylmethylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-chloro-2-(1-cyclopenta-1,3-dienylmethylamino)-5-sulfamoylbenzoic acid IUPAC Name: 4-chloro-2-(cyclopenta-1,3-dien-1-ylmethylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-chloro-2-(cyclopenta-1,3-dien-1-ylmethylamino)-5-sulfamoyl-benzoic acid Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C1CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1C=CC=C1CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C13H13ClN2O4S/c14-10-6-11(16-7-8-3-1-2-4-8)9(13(17)18)5-12(10)21(15,19)20/h1-3,5-6,16H,4,7H2,(H,17,18)(H2,15,19,20)