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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-fluoranyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-fluoro-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-fluorobenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-fluorobenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-fluoro-benzamide Formula: C21H24ClFN2O4S MolecularWeight: 454.942663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)F

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)F

InChI

InChI=1S/C21H24ClFN2O4S/c1-14-11-19(20(29-2)13-17(14)22)24-21(26)16-12-15(7-8-18(16)23)30(27,28)25-9-5-3-4-6-10-25/h7-8,11-13H,3-6,9-10H2,1-2H3,(H,24,26)