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

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(4-bromanyl-2-fluoranyl-phenyl)-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-(4-bromo-2-fluoro-phenyl)-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-(4-bromo-2-fluorophenyl)-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(4-bromo-2-fluorophenyl)-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-(4-bromo-2-fluoro-phenyl)-4-methyl-benzamide Formula: C20H22BrFN2O3S MolecularWeight: 469.367683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H22BrFN2O3S/c1-14-6-7-15(20(25)23-18-9-8-16(21)13-17(18)22)12-19(14)28(26,27)24-10-4-2-3-5-11-24/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,25)