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

Systemtic Name: 4-[3-methyl-4-[3-(4-methylsulfonylpiperazin-1-yl)propyl]-2,5-bis(oxidanylidene)pyrrol-1-yl]-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-[3-methyl-4-[3-(4-methylsulfonylpiperazin-1-yl)propyl]-2,5-dioxo-pyrrol-1-yl]-2-(trifluoromethyl)benzonitrile CAS Name: 4-[3-methyl-4-[3-(4-methylsulfonyl-1-piperazinyl)propyl]-2,5-dioxo-1-pyrrolyl]-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-[3-methyl-4-[3-(4-methylsulfonylpiperazin-1-yl)propyl]-2,5-dioxopyrrol-1-yl]-2-(trifluoromethyl)benzonitrile Traditional Name: 4-[2,5-diketo-3-[3-(4-mesylpiperazino)propyl]-4-methyl-3-pyrrolin-1-yl]-2-(trifluoromethyl)benzonitrile Formula: C21H23F3N4O4S MolecularWeight: 484.49193

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1=O)C2=CC(=C(C=C2)C#N)C(F)(F)F)CCCN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)N(C1=O)C2=CC(=C(C=C2)C#N)C(F)(F)F)CCCN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H23F3N4O4S/c1-14-17(4-3-7-26-8-10-27(11-9-26)33(2,31)32)20(30)28(19(14)29)16-6-5-15(13-25)18(12-16)21(22,23)24/h5-6,12H,3-4,7-11H2,1-2H3