2-[[5-(azepan-1-ylsulfonyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]amino]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]amino]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)anilino]-N-(p-tolyl)acetamide CAS Name: 2-[5-(1-azepanylsulfonyl)-2-(2,2,2-trifluoroethoxy)anilino]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)anilino]-N-(4-methylphenyl)acetamide Traditional Name: 2-[5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)anilino]-N-(p-tolyl)acetamide Formula: C23H28F3N3O4S MolecularWeight: 499.54633

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OCC(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CNC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OCC(F)(F)F

InChI

InChI=1S/C23H28F3N3O4S/c1-17-6-8-18(9-7-17)28-22(30)15-27-20-14-19(10-11-21(20)33-16-23(24,25)26)34(31,32)29-12-4-2-3-5-13-29/h6-11,14,27H,2-5,12-13,15-16H2,1H3,(H,28,30)