[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-(5-chloranyl-2-methoxy-phenyl)methanone

Systemtic Name: [1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-(5-chloranyl-2-methoxy-phenyl)methanone Openeye Name: [1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-piperidyl]-(5-chloro-2-methoxy-phenyl)methanone CAS Name: [1-(2,1,3-benzothiadiazol-5-ylmethyl)-3-piperidinyl]-(5-chloro-2-methoxyphenyl)methanone IUPAC Name: [1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-(5-chloro-2-methoxyphenyl)methanone Traditional Name: (5-chloro-2-methoxy-phenyl)-[1-(piazthiol-5-ylmethyl)-3-piperidyl]methanone Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)C2CCCN(C2)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)C2CCCN(C2)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C20H20ClN3O2S/c1-26-19-7-5-15(21)10-16(19)20(25)14-3-2-8-24(12-14)11-13-4-6-17-18(9-13)23-27-22-17/h4-7,9-10,14H,2-3,8,11-12H2,1H3