N1,N4,N4-trimethyl-N1-[(4-morpholin-4-ylphenyl)methyl]-2-nitro-benzene-1,4-disulfonamide

Systemtic Name: N1,N4,N4-trimethyl-N1-[(4-morpholin-4-ylphenyl)methyl]-2-nitro-benzene-1,4-disulfonamide Openeye Name: N1,N4,N4-trimethyl-N1-[(4-morpholinophenyl)methyl]-2-nitro-benzene-1,4-disulfonamide CAS Name: N1,N4,N4-trimethyl-N1-[[4-(4-morpholinyl)phenyl]methyl]-2-nitrobenzene-1,4-disulfonamide IUPAC Name: 1-N,4-N,4-N-trimethyl-1-N-[(4-morpholin-4-ylphenyl)methyl]-2-nitrobenzene-1,4-disulfonamide Traditional Name: N,N',N'-trimethyl-N-(4-morpholinobenzyl)-2-nitro-benzene-1,4-disulfonamide Formula: C20H26N4O7S2 MolecularWeight: 498.57304

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O7S2/c1-21(2)32(27,28)18-8-9-20(19(14-18)24(25)26)33(29,30)22(3)15-16-4-6-17(7-5-16)23-10-12-31-13-11-23/h4-9,14H,10-13,15H2,1-3H3