[(1R)-1-(3-nitrophenyl)ethyl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C17H17NO6S MolecularWeight: 363.38498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

InChI

InChI=1S/C17H17NO6S/c1-12(15-4-3-5-16(10-15)18(20)21)24-17(19)14-8-6-13(7-9-14)11-25(2,22)23/h3-10,12H,11H2,1-2H3/t12-/m1/s1