3,7-dihydro-2H-[1,4]dioxino[2,3-e]indazol-2-ylmethyl 4-methylbenzenesulfonate

Systemtic Name: 3,7-dihydro-2H-[1,4]dioxino[2,3-e]indazol-2-ylmethyl 4-methylbenzenesulfonate Openeye Name: 3,7-dihydro-2H-[1,4]dioxino[2,3-e]indazol-2-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3,7-dihydro-2H-[1,4]dioxino[2,3-e]indazol-2-ylmethyl ester IUPAC Name: 3,7-dihydro-2H-[1,4]dioxino[2,3-e]indazol-2-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3,7-dihydro-2H-[1,4]dioxin[2,3-e]indazol-2-ylmethyl ester Formula: C17H16N2O5S MolecularWeight: 360.38434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C4=C(C=C3)NN=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC3=C(O2)C4=C(C=C3)NN=C4

InChI

InChI=1S/C17H16N2O5S/c1-11-2-4-13(5-3-11)25(20,21)23-10-12-9-22-16-7-6-15-14(8-18-19-15)17(16)24-12/h2-8,12H,9-10H2,1H3,(H,18,19)