1-(1-ethyl-2-phenyl-indol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(1-ethyl-2-phenyl-indol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(1-ethyl-2-phenyl-indol-3-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-ethyl-2-phenyl-3-indolyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-(1-ethyl-2-phenylindol-3-yl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(1-ethyl-2-phenyl-indol-3-yl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone Formula: C26H28N3O3S2+ MolecularWeight: 494.64882

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)C[NH+]4CCN(CC4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)C[NH+]4CCN(CC4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C26H27N3O3S2/c1-2-29-22-12-7-6-11-21(22)25(26(29)20-9-4-3-5-10-20)23(30)19-27-14-16-28(17-15-27)34(31,32)24-13-8-18-33-24/h3-13,18H,2,14-17,19H2,1H3/p+1