[(1E,2R)-1-[(4-chlorophenyl)methoxyimino]-3-oxidanyl-propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(1E,2R)-1-[(4-chlorophenyl)methoxyimino]-3-oxidanyl-propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1R)-1-[(E)-(4-chlorophenyl)methoxyiminomethyl]-2-hydroxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1E,2R)-1-[(4-chlorophenyl)methoxyimino]-3-hydroxypropan-2-yl] ester IUPAC Name: [(1E,2R)-1-[(4-chlorophenyl)methoxyimino]-3-hydroxypropan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-1-[(E)-(4-chlorobenzyl)oximinomethyl]-2-hydroxy-ethyl] ester Formula: C17H18ClNO5S MolecularWeight: 383.84652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CO)C=NOCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](CO)/C=N/OCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H18ClNO5S/c1-13-2-8-17(9-3-13)25(21,22)24-16(11-20)10-19-23-12-14-4-6-15(18)7-5-14/h2-10,16,20H,11-12H2,1H3/b19-10+/t16-/m1/s1