5-[[(4-cyano-2-nitro-phenyl)amino]methyl]thiophene-2-sulfonamide

Systemtic Name: 5-[[(4-cyano-2-nitro-phenyl)amino]methyl]thiophene-2-sulfonamide Openeye Name: 5-[(4-cyano-2-nitro-anilino)methyl]thiophene-2-sulfonamide CAS Name: 5-[(4-cyano-2-nitroanilino)methyl]-2-thiophenesulfonamide IUPAC Name: 5-[(4-cyano-2-nitroanilino)methyl]thiophene-2-sulfonamide Traditional Name: 5-[(4-cyano-2-nitro-anilino)methyl]thiophene-2-sulfonamide Formula: C12H10N4O4S2 MolecularWeight: 338.3622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCC2=CC=C(S2)S(=O)(=O)N

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCC2=CC=C(S2)S(=O)(=O)N

InChI

InChI=1S/C12H10N4O4S2/c13-6-8-1-3-10(11(5-8)16(17)18)15-7-9-2-4-12(21-9)22(14,19)20/h1-5,15H,7H2,(H2,14,19,20)