N1-[(4-fluorophenyl)-thiophen-2-yl-methyl]-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide

Systemtic Name: N1-[(4-fluorophenyl)-thiophen-2-yl-methyl]-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide Openeye Name: N1-[(4-fluorophenyl)-(2-thienyl)methyl]-N4,N4-dimethyl-2-nitro-benzene-1,4-disulfonamide CAS Name: N1-[(4-fluorophenyl)-thiophen-2-ylmethyl]-N4,N4-dimethyl-2-nitrobenzene-1,4-disulfonamide IUPAC Name: 1-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-N,4-N-dimethyl-2-nitrobenzene-1,4-disulfonamide Traditional Name: N-[(4-fluorophenyl)-(2-thienyl)methyl]-N',N'-dimethyl-2-nitro-benzene-1,4-disulfonamide Formula: C19H18FN3O6S3 MolecularWeight: 499.556123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C19H18FN3O6S3/c1-22(2)32(28,29)15-9-10-18(16(12-15)23(24)25)31(26,27)21-19(17-4-3-11-30-17)13-5-7-14(20)8-6-13/h3-12,19,21H,1-2H3