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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-[4-(trifluoromethyl)phenyl]benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide Formula: C27H27F3N2O3S MolecularWeight: 516.57509

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C27H27F3N2O3S/c1-19-10-15-22(18-25(19)36(34,35)32-16-6-2-3-7-17-32)31-26(33)24-9-5-4-8-23(24)20-11-13-21(14-12-20)27(28,29)30/h4-5,8-15,18H,2-3,6-7,16-17H2,1H3,(H,31,33)