4-chloranyl-2-(oxan-2-ylmethylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-chloranyl-2-(oxan-2-ylmethylamino)-5-sulfamoyl-benzoic acid Openeye Name: 4-chloro-5-sulfamoyl-2-(tetrahydropyran-2-ylmethylamino)benzoic acid CAS Name: 4-chloro-2-(2-oxanylmethylamino)-5-sulfamoylbenzoic acid IUPAC Name: 4-chloro-2-(oxan-2-ylmethylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-chloro-5-sulfamoyl-2-(tetrahydropyran-2-ylmethylamino)benzoic acid Formula: C13H17ClN2O5S MolecularWeight: 348.80248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

C1CCOC(C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

InChI

InChI=1S/C13H17ClN2O5S/c14-10-6-11(16-7-8-3-1-2-4-21-8)9(13(17)18)5-12(10)22(15,19)20/h5-6,8,16H,1-4,7H2,(H,17,18)(H2,15,19,20)