1-(2,3-dihydroindol-1-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-indolin-1-yl-ethanone CAS Name: 1-(2,3-dihydroindol-1-yl)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-indolin-1-yl-ethanone Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O3S/c25-21(24-11-10-19-8-4-5-9-20(19)24)16-22-12-14-23(15-13-22)28(26,27)17-18-6-2-1-3-7-18/h1-9H,10-17H2/p+1