(E)-2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-3-(1-oxidanidylpyridin-1-ium-3-yl)pent-2-enoate

Systemtic Name: (E)-2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-3-(1-oxidanidylpyridin-1-ium-3-yl)pent-2-enoate Openeye Name: (E)-2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-3-(1-oxidopyridin-1-ium-3-yl)pent-2-enoate CAS Name: (E)-2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-3-(1-oxido-3-pyridin-1-iumyl)-2-pentenoate IUPAC Name: (E)-2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-3-(1-oxidopyridin-1-ium-3-yl)pent-2-enoate Traditional Name: (E)-2-[3-[(4-methoxyphenyl)sulfonylamino]phenyl]-3-(1-oxidopyridin-1-ium-3-yl)pent-2-enoate Formula: C23H21N2O6S- MolecularWeight: 453.48764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)OC)C(=O)[O-])C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC/C(=C(/C1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)OC)\C(=O)[O-])/C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C23H22N2O6S/c1-3-21(17-7-5-13-25(28)15-17)22(23(26)27)16-6-4-8-18(14-16)24-32(29,30)20-11-9-19(31-2)10-12-20/h4-15,24H,3H2,1-2H3,(H,26,27)/p-1/b22-21+