N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-3-methylsulfonyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-3-methylsulfonyl-benzamide CAS Name: N-[2-(1-azepanyl)-5-(trifluoromethyl)phenyl]-3-methylsulfonylbenzamide IUPAC Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-3-methylsulfonylbenzamide Traditional Name: N-[2-(azepan-1-yl)-5-(trifluoromethyl)phenyl]-3-mesyl-benzamide Formula: C21H23F3N2O3S MolecularWeight: 440.47913

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCCC3

InChI

InChI=1S/C21H23F3N2O3S/c1-30(28,29)17-8-6-7-15(13-17)20(27)25-18-14-16(21(22,23)24)9-10-19(18)26-11-4-2-3-5-12-26/h6-10,13-14H,2-5,11-12H2,1H3,(H,25,27)