2-[3-(4-methylphenyl)sulfonylindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

Systemtic Name: 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone Openeye Name: 1-(4-methylpiperazin-1-yl)-2-[3-(p-tolylsulfonyl)indol-1-yl]ethanone CAS Name: 2-[3-(4-methylphenyl)sulfonyl-1-indolyl]-1-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone Traditional Name: 1-(4-methylpiperazino)-2-(3-tosylindol-1-yl)ethanone Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCN(CC4)C

InChI

InChI=1S/C22H25N3O3S/c1-17-7-9-18(10-8-17)29(27,28)21-15-25(20-6-4-3-5-19(20)21)16-22(26)24-13-11-23(2)12-14-24/h3-10,15H,11-14,16H2,1-2H3