2-[4-[4-[bis(fluoranyl)methoxy]-3-ethoxy-phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-[bis(fluoranyl)methoxy]-3-ethoxy-phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(difluoromethoxy)-3-ethoxy-benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[4-(difluoromethoxy)-3-ethoxyphenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(difluoromethoxy)-3-ethoxybenzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(difluoromethoxy)-3-ethoxy-benzoyl]piperazino]sulfonylbenzonitrile Formula: C21H21F2N3O5S MolecularWeight: 465.470346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)OC(F)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)OC(F)F

InChI

InChI=1S/C21H21F2N3O5S/c1-2-30-18-13-15(7-8-17(18)31-21(22)23)20(27)25-9-11-26(12-10-25)32(28,29)19-6-4-3-5-16(19)14-24/h3-8,13,21H,2,9-12H2,1H3