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

Systemtic Name: N-[2-(1H-indol-3-yl)ethyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-[2-(1H-indol-3-yl)ethyl]-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-[2-(1H-indol-3-yl)ethyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-[2-(1H-indol-3-yl)ethyl]-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C24H31N4O3S+ MolecularWeight: 455.59294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[NH+](CC2)CC(=O)NCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C24H30N4O3S/c1-19-7-9-21(10-8-19)32(30,31)28-14-4-13-27(15-16-28)18-24(29)25-12-11-20-17-26-23-6-3-2-5-22(20)23/h2-3,5-10,17,26H,4,11-16,18H2,1H3,(H,25,29)/p+1