[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[methyl(phenyl)sulfamoyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 2-[methyl(phenyl)sulfamoyl]benzoic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 2-[methyl(phenyl)sulfamoyl]benzoic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C25H27N4O5S+ MolecularWeight: 495.57068

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H26N4O5S/c1-27(20-9-3-2-4-10-20)35(32,33)22-12-6-5-11-21(22)25(31)34-19-24(30)29-17-15-28(16-18-29)23-13-7-8-14-26-23/h2-14H,15-19H2,1H3/p+1