N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(trifluoromethyl)benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(trifluoromethyl)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(trifluoromethyl)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(trifluoromethyl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(trifluoromethyl)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(trifluoromethyl)benzamide Formula: C21H23F3N2O3S MolecularWeight: 440.47913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C(F)(F)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C(F)(F)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H23F3N2O3S/c1-15-10-11-16(14-19(15)30(28,29)26-12-6-2-3-7-13-26)25-20(27)17-8-4-5-9-18(17)21(22,23)24/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,25,27)