1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[3-(phenylsulfonyl)indol-1-yl]ethanone

Systemtic Name: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[3-(phenylsulfonyl)indol-1-yl]ethanone Openeye Name: 2-[3-(benzenesulfonyl)indol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 2-[3-(benzenesulfonyl)-1-indolyl]-1-[4-(3-methoxyphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[3-(benzenesulfonyl)indol-1-yl]-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3-besylindol-1-yl)-1-[4-(3-methoxyphenyl)piperazino]ethanone Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CN3C=C(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CN3C=C(C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O4S/c1-34-22-9-7-8-21(18-22)28-14-16-29(17-15-28)27(31)20-30-19-26(24-12-5-6-13-25(24)30)35(32,33)23-10-3-2-4-11-23/h2-13,18-19H,14-17,20H2,1H3