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

Systemtic Name: 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 1-(4-phenylpiperazin-1-yl)-2-[3-(p-tolylsulfonyl)indol-1-yl]ethanone CAS Name: 2-[3-(4-methylphenyl)sulfonyl-1-indolyl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[3-(4-methylphenyl)sulfonylindol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 1-(4-phenylpiperazino)-2-(3-tosylindol-1-yl)ethanone Formula: C27H27N3O3S MolecularWeight: 473.58658

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3S/c1-21-11-13-23(14-12-21)34(32,33)26-19-30(25-10-6-5-9-24(25)26)20-27(31)29-17-15-28(16-18-29)22-7-3-2-4-8-22/h2-14,19H,15-18,20H2,1H3