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

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]-1-(2-methyl-1H-indol-3-yl)ethanone IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanone Formula: C24H28N3O5S+ MolecularWeight: 470.56122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C24H27N3O5S/c1-17-24(19-5-2-3-6-20(19)25-17)21(28)16-26-9-11-27(12-10-26)33(29,30)18-7-8-22-23(15-18)32-14-4-13-31-22/h2-3,5-8,15,25H,4,9-14,16H2,1H3/p+1