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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-(6-ethanoyl-1,3-benzodioxol-5-yl)benzamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(azepan-1-ylsulfonyl)-4-chloro-benzamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(1-azepanylsulfonyl)-4-chlorobenzamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(azepan-1-ylsulfonyl)-4-chlorobenzamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(azepan-1-ylsulfonyl)-4-chloro-benzamide Formula: C22H23ClN2O6S MolecularWeight: 478.94582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCCC4)OCO2

InChI

InChI=1S/C22H23ClN2O6S/c1-14(26)16-11-19-20(31-13-30-19)12-18(16)24-22(27)15-6-7-17(23)21(10-15)32(28,29)25-8-4-2-3-5-9-25/h6-7,10-12H,2-5,8-9,13H2,1H3,(H,24,27)