[4-[3-(4-sulfooxyphenyl)-1,2-dihydropyridin-4-yl]phenyl] ethanoate

Systemtic Name: [4-[3-(4-sulfooxyphenyl)-1,2-dihydropyridin-4-yl]phenyl] ethanoate Openeye Name: [4-[3-(4-sulfooxyphenyl)-1,2-dihydropyridin-4-yl]phenyl] acetate CAS Name: acetic acid [4-[3-(4-sulfooxyphenyl)-1,2-dihydropyridin-4-yl]phenyl] ester IUPAC Name: [4-[3-(4-sulfooxyphenyl)-1,2-dihydropyridin-4-yl]phenyl] acetate Traditional Name: acetic acid [4-[3-(4-sulfoxyphenyl)-1,2-dihydropyridin-4-yl]phenyl] ester Formula: C19H17NO6S MolecularWeight: 387.40638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C2=C(CNC=C2)C3=CC=C(C=C3)OS(=O)(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C2=C(CNC=C2)C3=CC=C(C=C3)OS(=O)(=O)O

InChI

InChI=1S/C19H17NO6S/c1-13(21)25-16-6-2-14(3-7-16)18-10-11-20-12-19(18)15-4-8-17(9-5-15)26-27(22,23)24/h2-11,20H,12H2,1H3,(H,22,23,24)