[3-chloranyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] 2-chloranylbenzenesulfonate

Systemtic Name: [3-chloranyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-chloro-5-[2-(4-pyridylamino)ethoxy]phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] ester IUPAC Name: [3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-chloro-5-[2-(4-pyridylamino)ethoxy]phenyl] ester Formula: C19H16Cl2N2O4S MolecularWeight: 439.31234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)S(=O)(=O)OC2=CC(=CC(=C2)OCCNC3=CC=NC=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)S(=O)(=O)OC2=CC(=CC(=C2)OCCNC3=CC=NC=C3)Cl)Cl

InChI

InChI=1S/C19H16Cl2N2O4S/c20-14-11-16(26-10-9-23-15-5-7-22-8-6-15)13-17(12-14)27-28(24,25)19-4-2-1-3-18(19)21/h1-8,11-13H,9-10H2,(H,22,23)