N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-chloranyl-6-fluoranyl-benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-chloranyl-6-fluoranyl-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-chloro-6-fluoro-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-chloro-6-fluorobenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-chloro-6-fluorobenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-chloro-6-fluoro-benzamide Formula: C20H22ClFN2O4S MolecularWeight: 440.916083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=C(C=CC=C3Cl)F

InChI

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