2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]-1-(1H-indol-3-yl)ethanone IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Formula: C23H26N3O5S+ MolecularWeight: 456.53464

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)C4=CNC5=CC=CC=C54)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC(=O)C4=CNC5=CC=CC=C54)OC1

InChI

InChI=1S/C23H25N3O5S/c27-21(19-15-24-20-5-2-1-4-18(19)20)16-25-8-10-26(11-9-25)32(28,29)17-6-7-22-23(14-17)31-13-3-12-30-22/h1-2,4-7,14-15,24H,3,8-13,16H2/p+1