2-(2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-2-ylmethyl)-4-methyl-benzenesulfonate

Systemtic Name: 2-(2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-2-ylmethyl)-4-methyl-benzenesulfonate Openeye Name: 2-(2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-2-ylmethyl)-4-methyl-benzenesulfonate CAS Name: 2-(2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-2-ylmethyl)-4-methylbenzenesulfonate IUPAC Name: 2-(2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-2-ylmethyl)-4-methylbenzenesulfonate Traditional Name: 2-(2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-2-ylmethyl)-4-methyl-besylate Formula: C18H15N2O5S- MolecularWeight: 371.3871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CC2COC3=C(O2)C4=CN=CN=C4C=C3

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])CC2COC3=C(O2)C4=CN=CN=C4C=C3

InChI

InChI=1S/C18H16N2O5S/c1-11-2-5-17(26(21,22)23)12(6-11)7-13-9-24-16-4-3-15-14(18(16)25-13)8-19-10-20-15/h2-6,8,10,13H,7,9H2,1H3,(H,21,22,23)/p-1