1-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]piperidine-4-carboxylic acid Openeye Name: 1-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]piperidine-4-carboxylic acid Traditional Name: 1-(7-methylpiazthiol-4-yl)sulfonylisonipecotic acid Formula: C13H15N3O4S2 MolecularWeight: 341.4059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C2=NSN=C12)S(=O)(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C2=NSN=C12)S(=O)(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C13H15N3O4S2/c1-8-2-3-10(12-11(8)14-21-15-12)22(19,20)16-6-4-9(5-7-16)13(17)18/h2-3,9H,4-7H2,1H3,(H,17,18)