4-(1,2,3-benzothiadiazol-5-ylmethylamino)cyclohexane-1-carboxylic acid

Systemtic Name: 4-(1,2,3-benzothiadiazol-5-ylmethylamino)cyclohexane-1-carboxylic acid Openeye Name: 4-(1,2,3-benzothiadiazol-5-ylmethylamino)cyclohexanecarboxylic acid CAS Name: 4-(1,2,3-benzothiadiazol-5-ylmethylamino)-1-cyclohexanecarboxylic acid IUPAC Name: 4-(1,2,3-benzothiadiazol-5-ylmethylamino)cyclohexane-1-carboxylic acid Traditional Name: 4-(1,2,3-benzothiadiazol-5-ylmethylamino)cyclohexanecarboxylic acid Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C(=O)O)NCC2=CC3=C(C=C2)SN=N3

Isomeric SMILES

C1CC(CCC1C(=O)O)NCC2=CC3=C(C=C2)SN=N3

InChI

InChI=1S/C14H17N3O2S/c18-14(19)10-2-4-11(5-3-10)15-8-9-1-6-13-12(7-9)16-17-20-13/h1,6-7,10-11,15H,2-5,8H2,(H,18,19)