1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide

Systemtic Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide Openeye Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-piperidinecarboxamide IUPAC Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide Traditional Name: N-homoveratryl-1-piazthiol-4-ylsulfonyl-nipecotamide Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC4=NSN=C43)OC

InChI

InChI=1S/C22H26N4O5S2/c1-30-18-9-8-15(13-19(18)31-2)10-11-23-22(27)16-5-4-12-26(14-16)33(28,29)20-7-3-6-17-21(20)25-32-24-17/h3,6-9,13,16H,4-5,10-12,14H2,1-2H3,(H,23,27)