N-[5-(azepan-1-ylsulfonyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-4-cyano-benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-4-cyano-benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]-4-cyano-benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]-4-cyanobenzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]-4-cyanobenzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)phenyl]-4-cyano-benzamide Formula: C22H22F3N3O4S MolecularWeight: 481.48799

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC(F)(F)F)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC(F)(F)F)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H22F3N3O4S/c23-22(24,25)15-32-20-10-9-18(33(30,31)28-11-3-1-2-4-12-28)13-19(20)27-21(29)17-7-5-16(14-26)6-8-17/h5-10,13H,1-4,11-12,15H2,(H,27,29)