N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-[(3-nitro-4-oxidanyl-phenyl)sulfonylamino]benzamide Openeye Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzamide CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzamide Traditional Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-[(4-hydroxy-3-nitro-phenyl)sulfonylamino]benzamide Formula: C21H22N4O6S2 MolecularWeight: 490.55258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C21H22N4O6S2/c1-24(2)18(20-4-3-11-32-20)13-22-21(27)14-5-7-15(8-6-14)23-33(30,31)16-9-10-19(26)17(12-16)25(28)29/h3-12,18,23,26H,13H2,1-2H3,(H,22,27)