[(1S)-1-(3-methoxyphenyl)-2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(3-methoxyphenyl)-2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(3-methoxyphenyl)-2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(3-methoxyphenyl)-2-(4-methylsulfonyl-2-nitroanilino)ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(3-methoxyphenyl)-2-(4-methylsulfonyl-2-nitroanilino)ethyl]-dimethylazanium Traditional Name: [(1S)-2-(4-mesyl-2-nitro-anilino)-1-(3-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C18H24N3O5S+ MolecularWeight: 394.46526

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])C2=CC(=CC=C2)OC

Isomeric SMILES

C[NH+](C)[C@H](CNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-])C2=CC(=CC=C2)OC

InChI

InChI=1S/C18H23N3O5S/c1-20(2)18(13-6-5-7-14(10-13)26-3)12-19-16-9-8-15(27(4,24)25)11-17(16)21(22)23/h5-11,18-19H,12H2,1-4H3/p+1/t18-/m1/s1