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

Systemtic Name: [3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] 2-azanylbenzenesulfonate Openeye Name: [3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl] 2-aminobenzenesulfonate CAS Name: 2-aminobenzenesulfonic acid [3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] ester IUPAC Name: [3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] 2-aminobenzenesulfonate Traditional Name: 2-aminobenzenesulfonic acid [3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl] ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2N)OCCNC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2N)OCCNC3=CC=NC=C3

InChI

InChI=1S/C20H21N3O4S/c1-15-12-17(26-11-10-23-16-6-8-22-9-7-16)14-18(13-15)27-28(24,25)20-5-3-2-4-19(20)21/h2-9,12-14H,10-11,21H2,1H3,(H,22,23)