ethyl 4-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester Formula: C24H28N3O5S+ MolecularWeight: 470.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=C(NC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)C3=C(NC4=CC=CC=C43)C

InChI

InChI=1S/C24H27N3O5S/c1-3-32-24(29)18-8-10-19(11-9-18)33(30,31)27-14-12-26(13-15-27)16-22(28)23-17(2)25-21-7-5-4-6-20(21)23/h4-11,25H,3,12-16H2,1-2H3/p+1