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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(6-cyano-1,3-benzodioxol-5-yl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(6-cyano-1,3-benzodioxol-5-yl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(6-cyano-1,3-benzodioxol-5-yl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(6-cyano-1,3-benzodioxol-5-yl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(6-cyano-1,3-benzodioxol-5-yl)benzamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3C#N)OCO4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC4=C(C=C3C#N)OCO4

InChI

InChI=1S/C21H21N3O5S/c22-13-16-11-19-20(29-14-28-19)12-18(16)23-21(25)15-6-5-7-17(10-15)30(26,27)24-8-3-1-2-4-9-24/h5-7,10-12H,1-4,8-9,14H2,(H,23,25)