N-[3-(4-chlorophenyl)sulfanylpropyl]-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-(4-chlorophenyl)sulfanylpropyl]-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[3-[(4-chlorophenyl)thio]propyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[3-[(4-chlorophenyl)thio]propyl]-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)NCCCSC2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCSC2=CC=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H22ClN3O6S2/c1-29-18-9-6-15(23(25)26)12-17(18)22(31(2,27)28)13-19(24)21-10-3-11-30-16-7-4-14(20)5-8-16/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,24)