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

Systemtic Name: 2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-oxidanyl-piperidin-4-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxy-4-piperidyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[1-(6,7-dimethoxy-4-quinazolinyl)-4-hydroxy-4-piperidinyl]ethyl ester IUPAC Name: 2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxypiperidin-4-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[1-(6,7-dimethoxyquinazolin-4-yl)-4-hydroxy-4-piperidyl]ethyl ester Formula: C24H29N3O6S MolecularWeight: 487.56856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2(CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2(CCN(CC2)C3=NC=NC4=CC(=C(C=C43)OC)OC)O

InChI

InChI=1S/C24H29N3O6S/c1-17-4-6-18(7-5-17)34(29,30)33-13-10-24(28)8-11-27(12-9-24)23-19-14-21(31-2)22(32-3)15-20(19)25-16-26-23/h4-7,14-16,28H,8-13H2,1-3H3