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

Systemtic Name: 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[3-(p-tolylsulfonyl)indol-1-yl]ethanone CAS Name: 2-[3-(4-methylphenyl)sulfonyl-1-indolyl]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-(3-tosylindol-1-yl)ethanone Formula: C28H29N3O3S MolecularWeight: 487.61316

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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=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3O3S/c1-22-11-13-24(14-12-22)35(33,34)27-20-31(26-10-6-5-9-25(26)27)21-28(32)30-17-15-29(16-18-30)19-23-7-3-2-4-8-23/h2-14,20H,15-19,21H2,1H3