N,N-diethyl-3-[[(5-nitro-1-benzothiophen-2-yl)carbonylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[[(5-nitro-1-benzothiophen-2-yl)carbonylamino]carbamoyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[[(5-nitrobenzothiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide CAS Name: N,N-diethyl-3-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[[(5-nitro-1-benzothiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[[(5-nitrobenzothiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide Formula: C20H20N4O6S2 MolecularWeight: 476.526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O6S2/c1-3-23(4-2)32(29,30)16-7-5-6-13(11-16)19(25)21-22-20(26)18-12-14-10-15(24(27)28)8-9-17(14)31-18/h5-12H,3-4H2,1-2H3,(H,21,25)(H,22,26)