3-ethoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-5-phenyl-thiophene-2-carboxamide

Systemtic Name: 3-ethoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-5-phenyl-thiophene-2-carboxamide Openeye Name: 3-ethoxy-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-5-phenyl-thiophene-2-carboxamide CAS Name: 3-ethoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-5-phenyl-2-thiophenecarboxamide IUPAC Name: 3-ethoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-5-phenylthiophene-2-carboxamide Traditional Name: 3-ethoxy-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-5-phenyl-thiophene-2-carboxamide Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC(=C1)C2=CC=CC=C2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(SC(=C1)C2=CC=CC=C2)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6S2/c1-3-31-19-14-20(15-7-5-4-6-8-15)32-21(19)22(26)24-12-11-23-17-10-9-16(33(2,29)30)13-18(17)25(27)28/h4-10,13-14,23H,3,11-12H2,1-2H3,(H,24,26)