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

Systemtic Name: 1-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-[3-(methylthio)phenyl]-3-pyrrolyl]-2-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-[3-(methylthio)phenyl]pyrrol-3-yl]-2-(4-mesylpiperazino)ethanone Formula: C20H27N3O3S2 MolecularWeight: 421.57668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S2/c1-15-12-19(16(2)23(15)17-6-5-7-18(13-17)27-3)20(24)14-21-8-10-22(11-9-21)28(4,25)26/h5-7,12-13H,8-11,14H2,1-4H3