[3-[2-(pyridin-4-ylamino)ethylamino]phenyl] benzenesulfonate

Systemtic Name: [3-[2-(pyridin-4-ylamino)ethylamino]phenyl] benzenesulfonate Openeye Name: [3-[2-(4-pyridylamino)ethylamino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[2-(pyridin-4-ylamino)ethylamino]phenyl] ester IUPAC Name: [3-[2-(pyridin-4-ylamino)ethylamino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[2-(4-pyridylamino)ethylamino]phenyl] ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)NCCNC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)NCCNC3=CC=NC=C3

InChI

InChI=1S/C19H19N3O3S/c23-26(24,19-7-2-1-3-8-19)25-18-6-4-5-17(15-18)22-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21)