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

Systemtic Name: 1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 1-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-mesylpiperazino)ethanone Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3S/c1-15-10-16(2)12-19(11-15)24-17(3)13-20(18(24)4)21(25)14-22-6-8-23(9-7-22)28(5,26)27/h10-13H,6-9,14H2,1-5H3