ethyl 3-[[3-[4-[(1-oxidanylpyridin-1-ium-2-yl)amino]butoxy]phenyl]sulfonylamino]-5-phenyl-pentanoate

Systemtic Name: ethyl 3-[[3-[4-[(1-oxidanylpyridin-1-ium-2-yl)amino]butoxy]phenyl]sulfonylamino]-5-phenyl-pentanoate Openeye Name: ethyl 3-[[3-[4-[(1-hydroxypyridin-1-ium-2-yl)amino]butoxy]phenyl]sulfonylamino]-5-phenyl-pentanoate CAS Name: 3-[[3-[4-[(1-hydroxy-2-pyridin-1-iumyl)amino]butoxy]phenyl]sulfonylamino]-5-phenylpentanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[4-[(1-hydroxypyridin-1-ium-2-yl)amino]butoxy]phenyl]sulfonylamino]-5-phenylpentanoate Traditional Name: 3-[[3-[4-[(1-hydroxypyridin-1-ium-2-yl)amino]butoxy]phenyl]sulfonylamino]-5-phenyl-valeric acid ethyl ester Formula: C28H36N3O6S+ MolecularWeight: 542.66694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)OCCCCNC3=CC=CC=[N+]3O

Isomeric SMILES

CCOC(=O)CC(CCC1=CC=CC=C1)NS(=O)(=O)C2=CC=CC(=C2)OCCCCNC3=CC=CC=[N+]3O

InChI

InChI=1S/C28H35N3O6S/c1-2-36-28(32)21-24(17-16-23-11-4-3-5-12-23)30-38(34,35)26-14-10-13-25(22-26)37-20-9-7-18-29-27-15-6-8-19-31(27)33/h3-6,8,10-15,19,22,24,30,33H,2,7,9,16-18,20-21H2,1H3/p+1