N-(4-methylsulfonyl-2-nitro-phenyl)-1,3-benzodioxol-5-amine

Systemtic Name: N-(4-methylsulfonyl-2-nitro-phenyl)-1,3-benzodioxol-5-amine Openeye Name: N-(4-methylsulfonyl-2-nitro-phenyl)-1,3-benzodioxol-5-amine CAS Name: N-(4-methylsulfonyl-2-nitrophenyl)-1,3-benzodioxol-5-amine IUPAC Name: N-(4-methylsulfonyl-2-nitrophenyl)-1,3-benzodioxol-5-amine Traditional Name: 1,3-benzodioxol-5-yl-(4-mesyl-2-nitro-phenyl)amine Formula: C14H12N2O6S MolecularWeight: 336.31988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O6S/c1-23(19,20)10-3-4-11(12(7-10)16(17)18)15-9-2-5-13-14(6-9)22-8-21-13/h2-7,15H,8H2,1H3