[3-methyl-5-[2-[methyl(pyridin-4-yl)amino]ethoxy]phenyl] 2-chloranylbenzenesulfonate

Systemtic Name: [3-methyl-5-[2-[methyl(pyridin-4-yl)amino]ethoxy]phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-methyl-5-[2-[methyl(4-pyridyl)amino]ethoxy]phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-methyl-5-[2-[methyl(pyridin-4-yl)amino]ethoxy]phenyl] ester IUPAC Name: [3-methyl-5-[2-[methyl(pyridin-4-yl)amino]ethoxy]phenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-methyl-5-[2-[methyl(4-pyridyl)amino]ethoxy]phenyl] ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCN(C)C3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCN(C)C3=CC=NC=C3

InChI

InChI=1S/C21H21ClN2O4S/c1-16-13-18(27-12-11-24(2)17-7-9-23-10-8-17)15-19(14-16)28-29(25,26)21-6-4-3-5-20(21)22/h3-10,13-15H,11-12H2,1-2H3