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

Systemtic Name: 1-[1-(3-chloranyl-4-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 1-[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 1-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-[1-(3-chloro-4-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-mesylpiperazino)ethanone Formula: C19H23ClFN3O3S MolecularWeight: 427.920623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=C(C=C2)F)Cl)C)C(=O)CN3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=C(C=C2)F)Cl)C)C(=O)CN3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H23ClFN3O3S/c1-13-10-16(14(2)24(13)15-4-5-18(21)17(20)11-15)19(25)12-22-6-8-23(9-7-22)28(3,26)27/h4-5,10-11H,6-9,12H2,1-3H3