N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-chloranyl-6-fluoranyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-chloranyl-6-fluoranyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-chloro-6-fluoro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-chloro-6-fluorobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-chloro-6-fluorobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-chloro-6-fluoro-benzamide Formula: C20H22ClFN2O3S MolecularWeight: 424.916683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC=C2Cl)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC=C2Cl)F)S(=O)(=O)N3CCCCCC3

InChI

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