(1S)-N,N-dimethyl-N'-(4-methylsulfonyl-2-nitro-phenyl)-1-phenyl-ethane-1,2-diamine

Systemtic Name: (1S)-N,N-dimethyl-N'-(4-methylsulfonyl-2-nitro-phenyl)-1-phenyl-ethane-1,2-diamine Openeye Name: (1S)-N,N-dimethyl-N'-(4-methylsulfonyl-2-nitro-phenyl)-1-phenyl-ethane-1,2-diamine CAS Name: (1S)-N,N-dimethyl-N'-(4-methylsulfonyl-2-nitrophenyl)-1-phenylethane-1,2-diamine IUPAC Name: (1S)-N,N-dimethyl-N'-(4-methylsulfonyl-2-nitrophenyl)-1-phenylethane-1,2-diamine Traditional Name: [(1S)-2-(4-mesyl-2-nitro-anilino)-1-phenyl-ethyl]-dimethyl-amine Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-19(2)17(13-7-5-4-6-8-13)12-18-15-10-9-14(25(3,23)24)11-16(15)20(21)22/h4-11,17-18H,12H2,1-3H3/t17-/m1/s1