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

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-(N-mesyl-2-methoxy-5-nitro-anilino)-N-[2-(phenylthio)ethyl]acetamide Formula: C18H21N3O6S2 MolecularWeight: 439.50584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C18H21N3O6S2/c1-27-17-9-8-14(21(23)24)12-16(17)20(29(2,25)26)13-18(22)19-10-11-28-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,19,22)