[(2S)-3-[(2-methoxy-5-nitro-phenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: [(2S)-3-[(2-methoxy-5-nitro-phenyl)-(4-methylphenyl)sulfonyl-amino]-2-oxidanyl-propyl]-dimethyl-azanium Openeye Name: [(2S)-2-hydroxy-3-[2-methoxy-5-nitro-N-(p-tolylsulfonyl)anilino]propyl]-dimethyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(2-methoxy-N-(4-methylphenyl)sulfonyl-5-nitroanilino)propyl]-dimethylammonium IUPAC Name: [(2S)-2-hydroxy-3-(2-methoxy-N-(4-methylphenyl)sulfonyl-5-nitroanilino)propyl]-dimethylazanium Traditional Name: [(2S)-2-hydroxy-3-(2-methoxy-5-nitro-N-tosyl-anilino)propyl]-dimethyl-ammonium Formula: C19H26N3O6S+ MolecularWeight: 424.49124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O6S/c1-14-5-8-17(9-6-14)29(26,27)21(13-16(23)12-20(2)3)18-11-15(22(24)25)7-10-19(18)28-4/h5-11,16,23H,12-13H2,1-4H3/p+1/t16-/m0/s1