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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-(3-chloranyl-4-methyl-phenyl)-2-fluoranyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-methyl-phenyl)-2-fluoro-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-(3-chloro-4-methylphenyl)-2-fluorobenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-methylphenyl)-2-fluorobenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-(3-chloro-4-methyl-phenyl)-2-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(=C2)S(=O)(=O)N3CCCCCC3)F)Cl

Isomeric SMILES

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

InChI

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