[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[1-(6,7-dimethoxy-4-quinazolinyl)-4-piperidinyl]-2-hydroxypropyl] ester IUPAC Name: [2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-piperidyl]-2-hydroxy-propyl] ester Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C2CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC)O

InChI

InChI=1S/C25H31N3O6S/c1-17-5-7-19(8-6-17)35(30,31)34-15-25(2,29)18-9-11-28(12-10-18)24-20-13-22(32-3)23(33-4)14-21(20)26-16-27-24/h5-8,13-14,16,18,29H,9-12,15H2,1-4H3