4-[3-[3-(4-ethylsulfonylpiperazin-1-yl)propyl]-4-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-[3-[3-(4-ethylsulfonylpiperazin-1-yl)propyl]-4-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[3-[3-(4-ethylsulfonylpiperazin-1-yl)propyl]-4-methyl-2,5-dioxo-pyrrol-1-yl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[3-[3-(4-ethylsulfonyl-1-piperazinyl)propyl]-4-methyl-2,5-dioxo-1-pyrrolyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[3-[3-(4-ethylsulfonylpiperazin-1-yl)propyl]-4-methyl-2,5-dioxopyrrol-1-yl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[3-[3-(4-esylpiperazino)propyl]-2,5-diketo-4-methyl-3-pyrrolin-1-yl]-2-(trifluoromethyl)benzonitrile Formula: C22H25F3N4O4S MolecularWeight: 498.51851

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CCCC2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CCCC2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)C#N)C(F)(F)F)C

InChI

InChI=1S/C22H25F3N4O4S/c1-3-34(32,33)28-11-9-27(10-12-28)8-4-5-18-15(2)20(30)29(21(18)31)17-7-6-16(14-26)19(13-17)22(23,24)25/h6-7,13H,3-5,8-12H2,1-2H3