N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanyl-3-pyrrolidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(methylthio)-3-[oxo(1-pyrrolidinyl)methyl]benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-methylsulfanyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Traditional Name: 4-(methylthio)-N-piperonyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide Formula: C20H22N2O5S2 MolecularWeight: 434.52908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)N4CCCC4

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)N4CCCC4

InChI

InChI=1S/C20H22N2O5S2/c1-28-19-7-5-15(11-16(19)20(23)22-8-2-3-9-22)29(24,25)21-12-14-4-6-17-18(10-14)27-13-26-17/h4-7,10-11,21H,2-3,8-9,12-13H2,1H3