1-(1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone

Systemtic Name: 1-(1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone Openeye Name: 1-(1H-indol-3-yl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]ethanone CAS Name: 1-(1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone IUPAC Name: 1-(1H-indol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanone Traditional Name: 1-(1H-indol-3-yl)-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)ethanone Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)C3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O3S/c1-17-7-9-18(10-8-17)29(27,28)25-12-4-11-24(13-14-25)16-22(26)20-15-23-21-6-3-2-5-19(20)21/h2-3,5-10,15,23H,4,11-14,16H2,1H3/p+1