N-(1,3-benzodioxol-5-ylmethyl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-thiophen-2-ylpyrrolidin-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-thienyl)pyrrolidine-1-carbonyl]benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[oxo-(2-thiophen-2-yl-1-pyrrolidinyl)methyl]benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide Traditional Name: N-piperonyl-3-[2-(2-thienyl)pyrrolidine-1-carbonyl]benzenesulfonamide Formula: C23H22N2O5S2 MolecularWeight: 470.56118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CS5

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4)C5=CC=CS5

InChI

InChI=1S/C23H22N2O5S2/c26-23(25-10-2-6-19(25)22-7-3-11-31-22)17-4-1-5-18(13-17)32(27,28)24-14-16-8-9-20-21(12-16)30-15-29-20/h1,3-5,7-9,11-13,19,24H,2,6,10,14-15H2