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

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[3-(p-tolylsulfonyl)indol-1-yl]ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-[3-(4-methylphenyl)sulfonyl-1-indolyl]ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[3-(4-methylphenyl)sulfonylindol-1-yl]ethanone Traditional Name: 1-[4-(3-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=C5)Cl

Isomeric SMILES

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

InChI

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