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

Systemtic Name: 5-[[(4-ethanoyl-2-nitro-phenyl)amino]methyl]thiophene-2-sulfonamide Openeye Name: 5-[(4-acetyl-2-nitro-anilino)methyl]thiophene-2-sulfonamide CAS Name: 5-[(4-acetyl-2-nitroanilino)methyl]-2-thiophenesulfonamide IUPAC Name: 5-[(4-acetyl-2-nitroanilino)methyl]thiophene-2-sulfonamide Traditional Name: 5-[(4-acetyl-2-nitro-anilino)methyl]thiophene-2-sulfonamide Formula: C13H13N3O5S2 MolecularWeight: 355.38942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5S2/c1-8(17)9-2-4-11(12(6-9)16(18)19)15-7-10-3-5-13(22-10)23(14,20)21/h2-6,15H,7H2,1H3,(H2,14,20,21)