2-[4-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carbonyl]piperazino]sulfonylbenzonitrile Formula: C24H23FN4O3S MolecularWeight: 466.527823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H23FN4O3S/c1-17-15-22(18(2)29(17)21-9-7-20(25)8-10-21)24(30)27-11-13-28(14-12-27)33(31,32)23-6-4-3-5-19(23)16-26/h3-10,15H,11-14H2,1-2H3