[3-[4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenoxy]cyclopentyl] methanesulfonate

Systemtic Name: [3-[4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenoxy]cyclopentyl] methanesulfonate Openeye Name: [3-[4-(2-methyl-4-oxo-quinazolin-3-yl)phenoxy]cyclopentyl] methanesulfonate CAS Name: methanesulfonic acid [3-[4-(2-methyl-4-oxo-3-quinazolinyl)phenoxy]cyclopentyl] ester IUPAC Name: [3-[4-(2-methyl-4-oxoquinazolin-3-yl)phenoxy]cyclopentyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[4-(4-keto-2-methyl-quinazolin-3-yl)phenoxy]cyclopentyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC4CCC(C4)OS(=O)(=O)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC4CCC(C4)OS(=O)(=O)C

InChI

InChI=1S/C21H22N2O5S/c1-14-22-20-6-4-3-5-19(20)21(24)23(14)15-7-9-16(10-8-15)27-17-11-12-18(13-17)28-29(2,25)26/h3-10,17-18H,11-13H2,1-2H3