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

Systemtic Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide Openeye Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide CAS Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-2-carboxamide Traditional Name: N-homoveratryl-1-piazthiol-4-ylsulfonyl-pyrrolidine-2-carboxamide Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43)OC

InChI

InChI=1S/C21H24N4O5S2/c1-29-17-9-8-14(13-18(17)30-2)10-11-22-21(26)16-6-4-12-25(16)32(27,28)19-7-3-5-15-20(19)24-31-23-15/h3,5,7-9,13,16H,4,6,10-12H2,1-2H3,(H,22,26)