5-(azepan-1-ylsulfonyl)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-methyl-benzamide

Systemtic Name: 5-(azepan-1-ylsulfonyl)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-methyl-benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-benzamide CAS Name: 5-(1-azepanylsulfonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbenzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbenzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methyl-benzamide Formula: C21H22ClF3N2O3S MolecularWeight: 474.92419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C21H22ClF3N2O3S/c1-14-6-8-16(31(29,30)27-10-4-2-3-5-11-27)13-17(14)20(28)26-19-12-15(21(23,24)25)7-9-18(19)22/h6-9,12-13H,2-5,10-11H2,1H3,(H,26,28)