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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-methoxy-benzamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(azepan-1-ylsulfonyl)-4-methoxy-benzamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(1-azepanylsulfonyl)-4-methoxybenzamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(azepan-1-ylsulfonyl)-4-methoxybenzamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(azepan-1-ylsulfonyl)-4-methoxy-benzamide Formula: C23H26N2O7S MolecularWeight: 474.52674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O7S/c1-15(26)17-12-20-21(32-14-31-20)13-18(17)24-23(27)16-7-8-19(30-2)22(11-16)33(28,29)25-9-5-3-4-6-10-25/h7-8,11-13H,3-6,9-10,14H2,1-2H3,(H,24,27)