1-(2-methyl-1H-indol-3-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-1-(2-methyl-1H-indol-3-yl)ethanone CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-1-(2-methyl-1H-indol-3-yl)ethanone Traditional Name: 2-(4-benzylsulfonylpiperazino)-1-(2-methyl-1H-indol-3-yl)ethanone Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CN3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

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