N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C19H20N2O7S2 MolecularWeight: 452.5013

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OCO2

InChI

InChI=1S/C19H20N2O7S2/c1-13(22)16-10-18-19(28-12-27-18)11-17(16)20-29(23,24)14-4-6-15(7-5-14)30(25,26)21-8-2-3-9-21/h4-7,10-11,20H,2-3,8-9,12H2,1H3