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

Systemtic Name: 1-(4-methylpiperazin-1-yl)-2-[3-(phenylmethyl)sulfonylindol-1-yl]ethanone Openeye Name: 2-(3-benzylsulfonylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone CAS Name: 1-(4-methyl-1-piperazinyl)-2-[3-(phenylmethyl)sulfonyl-1-indolyl]ethanone IUPAC Name: 2-(3-benzylsulfonylindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone Traditional Name: 2-(3-benzylsulfonylindol-1-yl)-1-(4-methylpiperazino)ethanone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S/c1-23-11-13-24(14-12-23)22(26)16-25-15-21(19-9-5-6-10-20(19)25)29(27,28)17-18-7-3-2-4-8-18/h2-10,15H,11-14,16-17H2,1H3