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

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-2-(N-mesyl-2-methoxy-5-nitro-anilino)acetamide Formula: C18H20ClN3O6S2 MolecularWeight: 473.9509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O6S2/c1-28-17-8-5-14(22(24)25)11-16(17)21(30(2,26)27)12-18(23)20-9-10-29-15-6-3-13(19)4-7-15/h3-8,11H,9-10,12H2,1-2H3,(H,20,23)