1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[3-(p-tolylsulfonyl)indol-1-yl]ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[3-(4-methylphenyl)sulfonyl-1-indolyl]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanone Traditional Name: 1-(4-piperonylpiperazino)-2-(3-tosylindol-1-yl)ethanone Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H29N3O5S/c1-21-6-9-23(10-7-21)38(34,35)28-18-32(25-5-3-2-4-24(25)28)19-29(33)31-14-12-30(13-15-31)17-22-8-11-26-27(16-22)37-20-36-26/h2-11,16,18H,12-15,17,19-20H2,1H3