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

Systemtic Name: ethyl 3-[[3-[3-[(1-oxidanylpyridin-1-ium-2-yl)amino]propoxy]phenyl]sulfonylamino]-3-phenyl-propanoate Openeye Name: ethyl 3-[[3-[3-[(1-hydroxypyridin-1-ium-2-yl)amino]propoxy]phenyl]sulfonylamino]-3-phenyl-propanoate CAS Name: 3-[[3-[3-[(1-hydroxy-2-pyridin-1-iumyl)amino]propoxy]phenyl]sulfonylamino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[3-[(1-hydroxypyridin-1-ium-2-yl)amino]propoxy]phenyl]sulfonylamino]-3-phenylpropanoate Traditional Name: 3-[[3-[3-[(1-hydroxypyridin-1-ium-2-yl)amino]propoxy]phenyl]sulfonylamino]-3-phenyl-propionic acid ethyl ester Formula: C25H30N3O6S+ MolecularWeight: 500.5872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O6S/c1-2-33-25(29)19-23(20-10-4-3-5-11-20)27-35(31,32)22-13-8-12-21(18-22)34-17-9-15-26-24-14-6-7-16-28(24)30/h3-8,10-14,16,18,23,27,30H,2,9,15,17,19H2,1H3/p+1