N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[2-[(3-chlorophenyl)methylthio]ethyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[2-[(3-chlorobenzyl)thio]ethyl]-2-(N-mesyl-2-methoxy-5-nitro-anilino)acetamide Formula: C19H22ClN3O6S2 MolecularWeight: 487.97748

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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)Cl)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O6S2/c1-29-18-7-6-16(23(25)26)11-17(18)22(31(2,27)28)12-19(24)21-8-9-30-13-14-4-3-5-15(20)10-14/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,21,24)