(E)-3-[4,5-bis(4-fluorophenyl)-1-methylsulfonyl-2-propan-2-yl-pyrrol-3-yl]prop-2-enenitrile

Systemtic Name: (E)-3-[4,5-bis(4-fluorophenyl)-1-methylsulfonyl-2-propan-2-yl-pyrrol-3-yl]prop-2-enenitrile Openeye Name: (E)-3-[4,5-bis(4-fluorophenyl)-2-isopropyl-1-methylsulfonyl-pyrrol-3-yl]prop-2-enenitrile CAS Name: (E)-3-[4,5-bis(4-fluorophenyl)-1-methylsulfonyl-2-propan-2-yl-3-pyrrolyl]-2-propenenitrile IUPAC Name: (E)-3-[4,5-bis(4-fluorophenyl)-1-methylsulfonyl-2-propan-2-ylpyrrol-3-yl]prop-2-enenitrile Traditional Name: (E)-3-[4,5-bis(4-fluorophenyl)-2-isopropyl-1-mesyl-pyrrol-3-yl]acrylonitrile Formula: C23H20F2N2O2S MolecularWeight: 426.478906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=C(N1S(=O)(=O)C)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C=CC#N

Isomeric SMILES

CC(C)C1=C(C(=C(N1S(=O)(=O)C)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)/C=C/C#N

InChI

InChI=1S/C23H20F2N2O2S/c1-15(2)22-20(5-4-14-26)21(16-6-10-18(24)11-7-16)23(27(22)30(3,28)29)17-8-12-19(25)13-9-17/h4-13,15H,1-3H3/b5-4+