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

Systemtic Name: [3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] thiophene-2-sulfonate Openeye Name: [3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] ester IUPAC Name: [3-methyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [3-methyl-5-[2-(4-pyridylamino)ethoxy]phenyl] ester Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CS2)OCCNC3=CC=NC=C3

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CS2)OCCNC3=CC=NC=C3

InChI

InChI=1S/C18H18N2O4S2/c1-14-11-16(23-9-8-20-15-4-6-19-7-5-15)13-17(12-14)24-26(21,22)18-3-2-10-25-18/h2-7,10-13H,8-9H2,1H3,(H,19,20)