(2-chloranyl-6-fluoranyl-phenyl)methyl 4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazine-1-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 4-(3-nitro-5-sulfamoyl-thiophen-2-yl)piperazine-1-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 4-(3-nitro-5-sulfamoyl-2-thienyl)piperazine-1-carboxylate CAS Name: 4-(3-nitro-5-sulfamoyl-2-thiophenyl)-1-piperazinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 4-(3-nitro-5-sulfamoylthiophen-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3-nitro-5-sulfamoyl-2-thienyl)piperazine-1-carboxylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C16H16ClFN4O6S2 MolecularWeight: 478.902843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(S2)S(=O)(=O)N)[N+](=O)[O-])C(=O)OCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CN(CCN1C2=C(C=C(S2)S(=O)(=O)N)[N+](=O)[O-])C(=O)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H16ClFN4O6S2/c17-11-2-1-3-12(18)10(11)9-28-16(23)21-6-4-20(5-7-21)15-13(22(24)25)8-14(29-15)30(19,26)27/h1-3,8H,4-7,9H2,(H2,19,26,27)