2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(5-chloranyl-2,4-dimethoxy-phenyl)ethanamide

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-N-(5-chloranyl-2,4-dimethoxy-phenyl)ethanamide Openeye Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2,4-dimethoxy-phenyl)acetamide CAS Name: 2-[3-(1-azepanylsulfonyl)anilino]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide Traditional Name: 2-[3-(azepan-1-ylsulfonyl)anilino]-N-(5-chloro-2,4-dimethoxy-phenyl)acetamide Formula: C22H28ClN3O5S MolecularWeight: 481.99282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)Cl)OC

InChI

InChI=1S/C22H28ClN3O5S/c1-30-20-14-21(31-2)19(13-18(20)23)25-22(27)15-24-16-8-7-9-17(12-16)32(28,29)26-10-5-3-4-6-11-26/h7-9,12-14,24H,3-6,10-11,15H2,1-2H3,(H,25,27)