[2-[(4-methoxyphenyl)sulfonyl-propan-2-yl-amino]phenyl] (E)-3-(1-oxidanidylpyridin-1-ium-3-yl)prop-2-enoate

Systemtic Name: [2-[(4-methoxyphenyl)sulfonyl-propan-2-yl-amino]phenyl] (E)-3-(1-oxidanidylpyridin-1-ium-3-yl)prop-2-enoate Openeye Name: [2-[isopropyl-(4-methoxyphenyl)sulfonyl-amino]phenyl] (E)-3-(1-oxidopyridin-1-ium-3-yl)prop-2-enoate CAS Name: (E)-3-(1-oxido-3-pyridin-1-iumyl)-2-propenoic acid [2-[(4-methoxyphenyl)sulfonyl-propan-2-ylamino]phenyl] ester IUPAC Name: [2-[(4-methoxyphenyl)sulfonyl-propan-2-ylamino]phenyl] (E)-3-(1-oxidopyridin-1-ium-3-yl)prop-2-enoate Traditional Name: (E)-3-(1-oxidopyridin-1-ium-3-yl)acrylic acid [2-[isopropyl-(4-methoxyphenyl)sulfonyl-amino]phenyl] ester Formula: C24H24N2O6S MolecularWeight: 468.52216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1OC(=O)C=CC2=C[N+](=CC=C2)[O-])S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N(C1=CC=CC=C1OC(=O)/C=C/C2=C[N+](=CC=C2)[O-])S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H24N2O6S/c1-18(2)26(33(29,30)21-13-11-20(31-3)12-14-21)22-8-4-5-9-23(22)32-24(27)15-10-19-7-6-16-25(28)17-19/h4-18H,1-3H3/b15-10+