2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)-N-[2-(phenylthio)phenyl]acetamide Formula: C22H21N3O6S2 MolecularWeight: 487.54864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H21N3O6S2/c1-31-20-13-12-16(25(27)28)14-19(20)24(33(2,29)30)15-22(26)23-18-10-6-7-11-21(18)32-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3,(H,23,26)