[(1S)-1-phenyl-2-(phenylsulfonylamino)ethyl] 4-nitrobenzoate

Systemtic Name: [(1S)-1-phenyl-2-(phenylsulfonylamino)ethyl] 4-nitrobenzoate Openeye Name: [(1S)-2-(benzenesulfonamido)-1-phenyl-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(1S)-2-(benzenesulfonamido)-1-phenylethyl] ester IUPAC Name: [(1S)-2-(benzenesulfonamido)-1-phenylethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1S)-2-(benzenesulfonamido)-1-phenyl-ethyl] ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](CNS(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6S/c24-21(17-11-13-18(14-12-17)23(25)26)29-20(16-7-3-1-4-8-16)15-22-30(27,28)19-9-5-2-6-10-19/h1-14,20,22H,15H2/t20-/m1/s1