[(1R,2S)-2-nitro-1-phenyl-propyl] N-(4-methylphenyl)sulfonylcarbamate

Systemtic Name: [(1R,2S)-2-nitro-1-phenyl-propyl] N-(4-methylphenyl)sulfonylcarbamate Openeye Name: [(1R,2S)-2-nitro-1-phenyl-propyl] N-(p-tolylsulfonyl)carbamate CAS Name: N-(4-methylphenyl)sulfonylcarbamic acid [(1R,2S)-2-nitro-1-phenylpropyl] ester IUPAC Name: [(1R,2S)-2-nitro-1-phenylpropyl] N-(4-methylphenyl)sulfonylcarbamate Traditional Name: N-tosylcarbamic acid [(1R,2S)-2-nitro-1-phenyl-propyl] ester Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC(C2=CC=CC=C2)C(C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)O[C@H](C2=CC=CC=C2)[C@H](C)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6S/c1-12-8-10-15(11-9-12)26(23,24)18-17(20)25-16(13(2)19(21)22)14-6-4-3-5-7-14/h3-11,13,16H,1-2H3,(H,18,20)/t13-,16-/m0/s1