methyl 3-[[3-[3-[(1-oxidanylpyridin-1-ium-2-yl)amino]propoxy]phenyl]sulfonylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: methyl 3-[[3-[3-[(1-oxidanylpyridin-1-ium-2-yl)amino]propoxy]phenyl]sulfonylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl 3-[[3-[3-[(1-hydroxypyridin-1-ium-2-yl)amino]propoxy]phenyl]sulfonylamino]-3-(3-pyridyl)propanoate CAS Name: 3-[[3-[3-[(1-hydroxy-2-pyridin-1-iumyl)amino]propoxy]phenyl]sulfonylamino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl 3-[[3-[3-[(1-hydroxypyridin-1-ium-2-yl)amino]propoxy]phenyl]sulfonylamino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[3-[3-[(1-hydroxypyridin-1-ium-2-yl)amino]propoxy]phenyl]sulfonylamino]-3-(3-pyridyl)propionic acid methyl ester Formula: C23H27N4O6S+ MolecularWeight: 487.54868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CN=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)OCCCNC3=CC=CC=[N+]3O

Isomeric SMILES

COC(=O)CC(C1=CN=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)OCCCNC3=CC=CC=[N+]3O

InChI

InChI=1S/C23H26N4O6S/c1-32-23(28)16-21(18-7-5-11-24-17-18)26-34(30,31)20-9-4-8-19(15-20)33-14-6-12-25-22-10-2-3-13-27(22)29/h2-5,7-11,13,15,17,21,26,29H,6,12,14,16H2,1H3/p+1