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

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-2-[3-(phenylmethyl)sulfonylindol-1-yl]ethanone Openeye Name: 2-(3-benzylsulfonylindol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone CAS Name: 1-(4-ethyl-1-piperazinyl)-2-[3-(phenylmethyl)sulfonyl-1-indolyl]ethanone IUPAC Name: 2-(3-benzylsulfonylindol-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone Traditional Name: 2-(3-benzylsulfonylindol-1-yl)-1-(4-ethylpiperazino)ethanone Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)C(=O)CN2C=C(C3=CC=CC=C32)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S/c1-2-24-12-14-25(15-13-24)23(27)17-26-16-22(20-10-6-7-11-21(20)26)30(28,29)18-19-8-4-3-5-9-19/h3-11,16H,2,12-15,17-18H2,1H3