(4-nitro-2-thiophen-2-yl-phenyl) 4-sulfamoylbenzenesulfonate

Systemtic Name: (4-nitro-2-thiophen-2-yl-phenyl) 4-sulfamoylbenzenesulfonate Openeye Name: [4-nitro-2-(2-thienyl)phenyl] 4-sulfamoylbenzenesulfonate CAS Name: 4-sulfamoylbenzenesulfonic acid (4-nitro-2-thiophen-2-ylphenyl) ester IUPAC Name: (4-nitro-2-thiophen-2-ylphenyl) 4-sulfamoylbenzenesulfonate Traditional Name: 4-sulfamoylbenzenesulfonic acid [4-nitro-2-(2-thienyl)phenyl] ester Formula: C16H12N2O7S3 MolecularWeight: 440.47068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1=CSC(=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H12N2O7S3/c17-27(21,22)12-4-6-13(7-5-12)28(23,24)25-15-8-3-11(18(19)20)10-14(15)16-2-1-9-26-16/h1-10H,(H2,17,21,22)