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

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]-N-[2-(phenylmethylsulfanyl)ethyl]ethanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: 2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-[2-(phenylmethylthio)ethyl]acetamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(N-mesyl-2-methoxy-5-nitro-anilino)acetamide Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C19H23N3O6S2/c1-28-18-9-8-16(22(24)25)12-17(18)21(30(2,26)27)13-19(23)20-10-11-29-14-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,23)