[3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] 2-nitrobenzenesulfonate Openeye Name: [3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] ester IUPAC Name: [3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl] ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OCCNC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OCCNC3=CC=NC=C3

InChI

InChI=1S/C20H19N3O6S/c1-15-12-17(28-11-10-22-16-6-8-21-9-7-16)14-18(13-15)29-30(26,27)20-5-3-2-4-19(20)23(24)25/h2-9,12-14H,10-11H2,1H3,(H,21,22)