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

Systemtic Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanone Openeye Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-[3-(p-tolylsulfonyl)indol-1-yl]ethanone CAS Name: 1-[4-(2-chlorophenyl)-1-piperazinyl]-2-[3-(4-methylphenyl)sulfonyl-1-indolyl]ethanone IUPAC Name: 1-[4-(2-chlorophenyl)piperazin-1-yl]-2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanone Traditional Name: 1-[4-(2-chlorophenyl)piperazino]-2-(3-tosylindol-1-yl)ethanone Formula: C27H26ClN3O3S MolecularWeight: 508.03164

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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=C5Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CN(C3=CC=CC=C32)CC(=O)N4CCN(CC4)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H26ClN3O3S/c1-20-10-12-21(13-11-20)35(33,34)26-18-31(24-8-4-2-6-22(24)26)19-27(32)30-16-14-29(15-17-30)25-9-5-3-7-23(25)28/h2-13,18H,14-17,19H2,1H3