N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-methylsulfonyl-benzamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-3-methylsulfonyl-benzamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylsulfonyl-benzamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylsulfonylbenzamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-methylsulfonylbenzamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-mesyl-benzamide Formula: C17H15NO6S MolecularWeight: 361.3691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO6S/c1-10(19)13-7-15-16(24-9-23-15)8-14(13)18-17(20)11-4-3-5-12(6-11)25(2,21)22/h3-8H,9H2,1-2H3,(H,18,20)