N-[(2S)-2-(methylsulfonylamino)-3-phenyl-propyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[(2S)-2-(methylsulfonylamino)-3-phenyl-propyl]-4-nitro-benzenesulfonamide Openeye Name: N-[(2S)-2-(methanesulfonamido)-3-phenyl-propyl]-4-nitro-benzenesulfonamide CAS Name: N-[(2S)-2-(methanesulfonamido)-3-phenylpropyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[(2S)-2-(methanesulfonamido)-3-phenylpropyl]-4-nitrobenzenesulfonamide Traditional Name: N-[(2S)-2-(methanesulfonamido)-3-phenyl-propyl]-4-nitro-benzenesulfonamide Formula: C16H19N3O6S2 MolecularWeight: 413.46856

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(CC1=CC=CC=C1)CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O6S2/c1-26(22,23)18-14(11-13-5-3-2-4-6-13)12-17-27(24,25)16-9-7-15(8-10-16)19(20)21/h2-10,14,17-18H,11-12H2,1H3/t14-/m0/s1