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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(6-cyano-1,3-benzodioxol-5-yl)-4-methoxy-benzamide Formula: C22H23N3O6S MolecularWeight: 457.49952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2C#N)OCO3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2C#N)OCO3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H23N3O6S/c1-29-18-7-6-15(11-21(18)32(27,28)25-8-4-2-3-5-9-25)22(26)24-17-12-20-19(30-14-31-20)10-16(17)13-23/h6-7,10-12H,2-5,8-9,14H2,1H3,(H,24,26)