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

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[3-(phenylmethyl)sulfonylindol-1-yl]ethanone Openeye Name: 2-(3-benzylsulfonylindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-[3-(phenylmethyl)sulfonyl-1-indolyl]ethanone IUPAC Name: 2-(3-benzylsulfonylindol-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(3-benzylsulfonylindol-1-yl)-1-[4-(4-methoxyphenyl)piperazino]ethanone Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C=C(C4=CC=CC=C43)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C=C(C4=CC=CC=C43)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O4S/c1-35-24-13-11-23(12-14-24)29-15-17-30(18-16-29)28(32)20-31-19-27(25-9-5-6-10-26(25)31)36(33,34)21-22-7-3-2-4-8-22/h2-14,19H,15-18,20-21H2,1H3