N,N-diethyl-5-[[[2-nitro-4-(phenylcarbonyl)phenyl]amino]methyl]thiophene-2-sulfonamide

Systemtic Name: N,N-diethyl-5-[[[2-nitro-4-(phenylcarbonyl)phenyl]amino]methyl]thiophene-2-sulfonamide Openeye Name: 5-[(4-benzoyl-2-nitro-anilino)methyl]-N,N-diethyl-thiophene-2-sulfonamide CAS Name: 5-[(4-benzoyl-2-nitroanilino)methyl]-N,N-diethyl-2-thiophenesulfonamide IUPAC Name: 5-[(4-benzoyl-2-nitroanilino)methyl]-N,N-diethylthiophene-2-sulfonamide Traditional Name: 5-[(4-benzoyl-2-nitro-anilino)methyl]-N,N-diethyl-thiophene-2-sulfonamide Formula: C22H23N3O5S2 MolecularWeight: 473.56512

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(S1)CNC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(S1)CNC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5S2/c1-3-24(4-2)32(29,30)21-13-11-18(31-21)15-23-19-12-10-17(14-20(19)25(27)28)22(26)16-8-6-5-7-9-16/h5-14,23H,3-4,15H2,1-2H3