N2,N2-diethyl-N1-(4-methylsulfonyl-2-nitro-phenyl)-3-phenyl-propane-1,2-diamine

Systemtic Name: N2,N2-diethyl-N1-(4-methylsulfonyl-2-nitro-phenyl)-3-phenyl-propane-1,2-diamine Openeye Name: N2,N2-diethyl-N1-(4-methylsulfonyl-2-nitro-phenyl)-3-phenyl-propane-1,2-diamine CAS Name: N2,N2-diethyl-N1-(4-methylsulfonyl-2-nitrophenyl)-3-phenylpropane-1,2-diamine IUPAC Name: 2-N,2-N-diethyl-1-N-(4-methylsulfonyl-2-nitrophenyl)-3-phenylpropane-1,2-diamine Traditional Name: [1-benzyl-2-(4-mesyl-2-nitro-anilino)ethyl]-diethyl-amine Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(CC1=CC=CC=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(CC1=CC=CC=C1)CNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O4S/c1-4-22(5-2)17(13-16-9-7-6-8-10-16)15-21-19-12-11-18(28(3,26)27)14-20(19)23(24)25/h6-12,14,17,21H,4-5,13,15H2,1-3H3