3-(azepan-1-ylsulfonyl)-N-(5-chloranyl-2-fluoranyl-phenyl)-4-methoxy-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(5-chloranyl-2-fluoranyl-phenyl)-4-methoxy-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluoro-phenyl)-4-methoxy-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(5-chloro-2-fluorophenyl)-4-methoxybenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)-4-methoxybenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluoro-phenyl)-4-methoxy-benzamide Formula: C20H22ClFN2O4S MolecularWeight: 440.916083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H22ClFN2O4S/c1-28-18-9-6-14(20(25)23-17-13-15(21)7-8-16(17)22)12-19(18)29(26,27)24-10-4-2-3-5-11-24/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,25)