1-(phenylsulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(phenylsulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: 1-besyl-N-(3,4,5-trimethoxybenzyl)pyrrolidine-2-carboxamide Formula: C21H26N2O6S MolecularWeight: 434.50594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O6S/c1-27-18-12-15(13-19(28-2)20(18)29-3)14-22-21(24)17-10-7-11-23(17)30(25,26)16-8-5-4-6-9-16/h4-6,8-9,12-13,17H,7,10-11,14H2,1-3H3,(H,22,24)