2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-(3-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-(3-methylsulfanylphenyl)ethanamide Openeye Name: 2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-(3-methylsulfanylphenyl)acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[3-(methylthio)phenyl]acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(3-methylsulfanylphenyl)acetamide Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)-N-[3-(methylthio)phenyl]acetamide Formula: C17H19N3O6S2 MolecularWeight: 425.47926

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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=C2)SC)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NC2=CC(=CC=C2)SC)S(=O)(=O)C

InChI

InChI=1S/C17H19N3O6S2/c1-26-16-8-7-13(20(22)23)10-15(16)19(28(3,24)25)11-17(21)18-12-5-4-6-14(9-12)27-2/h4-10H,11H2,1-3H3,(H,18,21)