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

Systemtic Name: 3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-ylmethyl 4-methylbenzenesulfonate Openeye Name: 3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-ylmethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-ylmethyl ester IUPAC Name: 3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-ylmethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3,7-dihydro-2H-[1,4]dioxin[2,3-e]indol-2-ylmethyl ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5S/c1-12-2-4-14(5-3-12)25(20,21)23-11-13-10-22-17-7-6-16-15(8-9-19-16)18(17)24-13/h2-9,13,19H,10-11H2,1H3