(2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-8-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-8-yl)methyl 4-methylbenzenesulfonate Openeye Name: (2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-8-yl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-8-yl)methyl ester IUPAC Name: (2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-8-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-methyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazol-8-yl)methyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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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(=N4)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-12-3-8-16(9-4-12)26(22,23)24-11-15-7-5-14-6-10-17-18(19(14)25-15)21-13(2)20-17/h3-4,6,8-10,15H,5,7,11H2,1-2H3,(H,20,21)