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

Systemtic Name: N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[3-[(3-chlorophenyl)methylthio]propyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[3-[(3-chlorobenzyl)thio]propyl]-2-(N-mesyl-2-methoxy-5-nitro-anilino)acetamide Formula: C20H24ClN3O6S2 MolecularWeight: 502.00406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCSCC2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCSCC2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H24ClN3O6S2/c1-30-19-8-7-17(24(26)27)12-18(19)23(32(2,28)29)13-20(25)22-9-4-10-31-14-15-5-3-6-16(21)11-15/h3,5-8,11-12H,4,9-10,13-14H2,1-2H3,(H,22,25)