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

Systemtic Name: N4,N4-dimethyl-2-nitro-N1-(phenylmethyl)-N1-propan-2-yl-benzene-1,4-disulfonamide Openeye Name: N1-benzyl-N1-isopropyl-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide CAS Name: N4,N4-dimethyl-2-nitro-N1-(phenylmethyl)-N1-propan-2-ylbenzene-1,4-disulfonamide IUPAC Name: 1-N-benzyl-4-N,4-N-dimethyl-2-nitro-1-N-propan-2-ylbenzene-1,4-disulfonamide Traditional Name: N-benzyl-N-isopropyl-N',N'-dimethyl-2-nitro-benzene-1,4-disulfonamide Formula: C18H23N3O6S2 MolecularWeight: 441.52172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O6S2/c1-14(2)20(13-15-8-6-5-7-9-15)29(26,27)18-11-10-16(12-17(18)21(22)23)28(24,25)19(3)4/h5-12,14H,13H2,1-4H3