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

Systemtic Name: (1S)-N,N-diethyl-N'-(4-methylsulfonyl-2-nitro-phenyl)-1-phenyl-ethane-1,2-diamine Openeye Name: (1S)-N,N-diethyl-N'-(4-methylsulfonyl-2-nitro-phenyl)-1-phenyl-ethane-1,2-diamine CAS Name: (1S)-N,N-diethyl-N'-(4-methylsulfonyl-2-nitrophenyl)-1-phenylethane-1,2-diamine IUPAC Name: (1S)-N,N-diethyl-N'-(4-methylsulfonyl-2-nitrophenyl)-1-phenylethane-1,2-diamine Traditional Name: diethyl-[(1S)-2-(4-mesyl-2-nitro-anilino)-1-phenyl-ethyl]amine Formula: C19H25N3O4S MolecularWeight: 391.4845

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-4-21(5-2)19(15-9-7-6-8-10-15)14-20-17-12-11-16(27(3,25)26)13-18(17)22(23)24/h6-13,19-20H,4-5,14H2,1-3H3/t19-/m1/s1