N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-homopiperonyl-3-pyrrolidinosulfonyl-benzenesulfonamide Formula: C19H22N2O6S2 MolecularWeight: 438.51778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=CC=C2)S(=O)(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H22N2O6S2/c22-28(23,20-9-8-15-6-7-18-19(12-15)27-14-26-18)16-4-3-5-17(13-16)29(24,25)21-10-1-2-11-21/h3-7,12-13,20H,1-2,8-11,14H2