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

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-pyrrolidinosulfonyl-benzamide Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)OCO2

InChI

InChI=1S/C20H20N2O6S/c1-13(23)16-10-18-19(28-12-27-18)11-17(16)21-20(24)14-4-6-15(7-5-14)29(25,26)22-8-2-3-9-22/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,21,24)