ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-benzyl-piperidine-4-carboxylate CAS Name: 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,1,3-benzothiadiazol-5-ylmethyl)-4-benzylpiperidine-4-carboxylate Traditional Name: 4-benzyl-1-(piazthiol-5-ylmethyl)isonipecotic acid ethyl ester Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC3=NSN=C3C=C2)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC3=NSN=C3C=C2)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S/c1-2-27-21(26)22(15-17-6-4-3-5-7-17)10-12-25(13-11-22)16-18-8-9-19-20(14-18)24-28-23-19/h3-9,14H,2,10-13,15-16H2,1H3