methyl 3-[[3-[4-[(1-oxidanylpyridin-1-ium-2-yl)amino]butoxy]phenyl]sulfonylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: methyl 3-[[3-[4-[(1-oxidanylpyridin-1-ium-2-yl)amino]butoxy]phenyl]sulfonylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl 3-[[3-[4-[(1-hydroxypyridin-1-ium-2-yl)amino]butoxy]phenyl]sulfonylamino]-3-(3-pyridyl)propanoate CAS Name: 3-[[3-[4-[(1-hydroxy-2-pyridin-1-iumyl)amino]butoxy]phenyl]sulfonylamino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl 3-[[3-[4-[(1-hydroxypyridin-1-ium-2-yl)amino]butoxy]phenyl]sulfonylamino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[3-[4-[(1-hydroxypyridin-1-ium-2-yl)amino]butoxy]phenyl]sulfonylamino]-3-(3-pyridyl)propionic acid methyl ester Formula: C24H29N4O6S+ MolecularWeight: 501.57526

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CN=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)OCCCCNC3=CC=CC=[N+]3O

Isomeric SMILES

COC(=O)CC(C1=CN=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)OCCCCNC3=CC=CC=[N+]3O

InChI

InChI=1S/C24H28N4O6S/c1-33-24(29)17-22(19-8-7-12-25-18-19)27-35(31,32)21-10-6-9-20(16-21)34-15-5-3-13-26-23-11-2-4-14-28(23)30/h2,4,6-12,14,16,18,22,27,30H,3,5,13,15,17H2,1H3/p+1