1-[1-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 1-[1-(3-fluoranyl-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 1-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-[1-(3-fluoro-4-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-mesylpiperazino)ethanone Formula: C20H26FN3O3S MolecularWeight: 407.502143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CN3CCN(CC3)S(=O)(=O)C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)CN3CCN(CC3)S(=O)(=O)C)C)F

InChI

InChI=1S/C20H26FN3O3S/c1-14-5-6-17(12-19(14)21)24-15(2)11-18(16(24)3)20(25)13-22-7-9-23(10-8-22)28(4,26)27/h5-6,11-12H,7-10,13H2,1-4H3