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

Systemtic Name: ethyl 3-[[3-[4-[(1-oxidanylpyridin-1-ium-2-yl)amino]butoxy]phenyl]sulfonylamino]-4-pyridin-3-yl-butanoate Openeye Name: ethyl 3-[[3-[4-[(1-hydroxypyridin-1-ium-2-yl)amino]butoxy]phenyl]sulfonylamino]-4-(3-pyridyl)butanoate CAS Name: 3-[[3-[4-[(1-hydroxy-2-pyridin-1-iumyl)amino]butoxy]phenyl]sulfonylamino]-4-(3-pyridinyl)butanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[4-[(1-hydroxypyridin-1-ium-2-yl)amino]butoxy]phenyl]sulfonylamino]-4-pyridin-3-ylbutanoate Traditional Name: 3-[[3-[4-[(1-hydroxypyridin-1-ium-2-yl)amino]butoxy]phenyl]sulfonylamino]-4-(3-pyridyl)butyric acid ethyl ester Formula: C26H33N4O6S+ MolecularWeight: 529.62842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC1=CN=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)OCCCCNC3=CC=CC=[N+]3O

Isomeric SMILES

CCOC(=O)CC(CC1=CN=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)OCCCCNC3=CC=CC=[N+]3O

InChI

InChI=1S/C26H32N4O6S/c1-2-35-26(31)18-22(17-21-9-8-13-27-20-21)29-37(33,34)24-11-7-10-23(19-24)36-16-6-4-14-28-25-12-3-5-15-30(25)32/h3,5,7-13,15,19-20,22,29,32H,2,4,6,14,16-18H2,1H3/p+1