[3-methyl-5-[2-(pyridin-4-ylamino)ethylamino]phenyl] benzenesulfonate

Systemtic Name: [3-methyl-5-[2-(pyridin-4-ylamino)ethylamino]phenyl] benzenesulfonate Openeye Name: [3-methyl-5-[2-(4-pyridylamino)ethylamino]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-methyl-5-[2-(pyridin-4-ylamino)ethylamino]phenyl] ester IUPAC Name: [3-methyl-5-[2-(pyridin-4-ylamino)ethylamino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-methyl-5-[2-(4-pyridylamino)ethylamino]phenyl] ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)NCCNC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)NCCNC3=CC=NC=C3

InChI

InChI=1S/C20H21N3O3S/c1-16-13-18(23-12-11-22-17-7-9-21-10-8-17)15-19(14-16)26-27(24,25)20-5-3-2-4-6-20/h2-10,13-15,23H,11-12H2,1H3,(H,21,22)