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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(3-chloranyl-2-methyl-phenyl)-4-fluoranyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methyl-phenyl)-4-fluoro-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(3-chloro-2-methylphenyl)-4-fluorobenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)-4-fluorobenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methyl-phenyl)-4-fluoro-benzamide Formula: C20H22ClFN2O3S MolecularWeight: 424.916683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClFN2O3S/c1-14-16(21)7-6-8-18(14)23-20(25)15-9-10-17(22)19(13-15)28(26,27)24-11-4-2-3-5-12-24/h6-10,13H,2-5,11-12H2,1H3,(H,23,25)