N4,N4-dimethyl-2-nitro-N1-(4-phenylbutan-2-yl)benzene-1,4-disulfonamide

Systemtic Name: N4,N4-dimethyl-2-nitro-N1-(4-phenylbutan-2-yl)benzene-1,4-disulfonamide Openeye Name: N4,N4-dimethyl-N1-(1-methyl-3-phenyl-propyl)-2-nitro-benzene-1,4-disulfonamide CAS Name: N4,N4-dimethyl-2-nitro-N1-(4-phenylbutan-2-yl)benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-dimethyl-2-nitro-1-N-(4-phenylbutan-2-yl)benzene-1,4-disulfonamide Traditional Name: N',N'-dimethyl-N-(1-methyl-3-phenyl-propyl)-2-nitro-benzene-1,4-disulfonamide Formula: C18H23N3O6S2 MolecularWeight: 441.52172

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(CCC1=CC=CC=C1)NS(=O)(=O)C2=C(C=C(C=C2)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O6S2/c1-14(9-10-15-7-5-4-6-8-15)19-28(24,25)18-12-11-16(13-17(18)21(22)23)29(26,27)20(2)3/h4-8,11-14,19H,9-10H2,1-3H3