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

Systemtic Name: 2-[3-(phenylmethyl)sulfonylindol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-(3-benzylsulfonylindol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[3-(phenylmethyl)sulfonyl-1-indolyl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-(3-benzylsulfonylindol-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-(3-benzylsulfonylindol-1-yl)-1-(4-phenylpiperazino)ethanone Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C=C(C4=CC=CC=C43)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C=C(C4=CC=CC=C43)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C27H27N3O3S/c31-27(29-17-15-28(16-18-29)23-11-5-2-6-12-23)20-30-19-26(24-13-7-8-14-25(24)30)34(32,33)21-22-9-3-1-4-10-22/h1-14,19H,15-18,20-21H2