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

Systemtic Name: 2-bromanyl-N-(6-ethanoyl-1,3-benzodioxol-5-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromo-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromo-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromo-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-bromo-5-pyrrolidinosulfonyl-benzamide Formula: C20H19BrN2O6S MolecularWeight: 495.34366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O6S/c1-12(24)14-9-18-19(29-11-28-18)10-17(14)22-20(25)15-8-13(4-5-16(15)21)30(26,27)23-6-2-3-7-23/h4-5,8-10H,2-3,6-7,11H2,1H3,(H,22,25)