2-(4-oxidanyl-3-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(4-oxidanyl-3-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(4-hydroxy-3-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(4-hydroxy-3-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl)ethyl ester IUPAC Name: 2-(4-hydroxy-3-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(4-hydroxy-3-phenyl-4,5,6,7-tetrahydroindoxazen-5-yl)ethyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCC3=C(C2O)C(=NO3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2CCC3=C(C2O)C(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C22H23NO5S/c1-15-7-10-18(11-8-15)29(25,26)27-14-13-17-9-12-19-20(22(17)24)21(23-28-19)16-5-3-2-4-6-16/h2-8,10-11,17,22,24H,9,12-14H2,1H3