2-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-(3-nitrophenyl)amino]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-[3-nitro-N-(p-tolylsulfonyl)anilino]acetamide CAS Name: 2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)-N-(3-methylsulfanylphenyl)acetamide Traditional Name: N-[3-(methylthio)phenyl]-2-(3-nitro-N-tosyl-anilino)acetamide Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC(=CC=C2)SC)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC(=CC=C2)SC)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5S2/c1-16-9-11-21(12-10-16)32(29,30)24(18-6-4-7-19(14-18)25(27)28)15-22(26)23-17-5-3-8-20(13-17)31-2/h3-14H,15H2,1-2H3,(H,23,26)