(2-oxidanylidene-3,6,7,8-tetrahydro-1H-pyrano[2,3-e]benzimidazol-8-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (2-oxidanylidene-3,6,7,8-tetrahydro-1H-pyrano[2,3-e]benzimidazol-8-yl)methyl 4-methylbenzenesulfonate Openeye Name: (2-oxo-3,6,7,8-tetrahydro-1H-pyrano[2,3-e]benzimidazol-8-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-oxo-3,6,7,8-tetrahydro-1H-pyrano[2,3-e]benzimidazol-8-yl)methyl ester IUPAC Name: (2-oxo-3,6,7,8-tetrahydro-1H-pyrano[2,3-e]benzimidazol-8-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-3,6,7,8-tetrahydro-1H-pyrano[2,3-e]benzimidazol-8-yl)methyl ester Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(O2)C4=C(C=C3)NC(=O)N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC3=C(O2)C4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C18H18N2O5S/c1-11-2-7-14(8-3-11)26(22,23)24-10-13-6-4-12-5-9-15-16(17(12)25-13)20-18(21)19-15/h2-3,5,7-9,13H,4,6,10H2,1H3,(H2,19,20,21)