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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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