2-[4-[3-[bis(4-fluorophenyl)methoxy]-2-oxidanyl-propyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-[bis(4-fluorophenyl)methoxy]-2-oxidanyl-propyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxy-propyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxypropyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-[bis(4-fluorophenyl)methoxy]-2-hydroxy-propyl]piperazino]sulfonylbenzonitrile Formula: C27H27F2N3O4S MolecularWeight: 527.582786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)O)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1CC(COC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)O)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C27H27F2N3O4S/c28-23-9-5-20(6-10-23)27(21-7-11-24(29)12-8-21)36-19-25(33)18-31-13-15-32(16-14-31)37(34,35)26-4-2-1-3-22(26)17-30/h1-12,25,27,33H,13-16,18-19H2