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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)benzenesulfonamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(azepan-1-ylsulfonyl)benzenesulfonamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(1-azepanylsulfonyl)benzenesulfonamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(azepan-1-ylsulfonyl)benzenesulfonamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(azepan-1-ylsulfonyl)benzenesulfonamide Formula: C21H24N2O7S2 MolecularWeight: 480.55446

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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)N4CCCCCC4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4)OCO2

InChI

InChI=1S/C21H24N2O7S2/c1-15(24)18-12-20-21(30-14-29-20)13-19(18)22-31(25,26)16-6-8-17(9-7-16)32(27,28)23-10-4-2-3-5-11-23/h6-9,12-13,22H,2-5,10-11,14H2,1H3