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

Systemtic Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-(4-mesylpiperazino)ethanone Formula: C20H27N3O3S MolecularWeight: 389.51168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-15-5-7-18(8-6-15)23-16(2)13-19(17(23)3)20(24)14-21-9-11-22(12-10-21)27(4,25)26/h5-8,13H,9-12,14H2,1-4H3