N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[3-[(4-chlorophenyl)methylthio]propyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[3-[(4-chlorobenzyl)thio]propyl]-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C20H24ClN3O5S2 MolecularWeight: 486.00466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCSCC2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCSCC2=CC=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H24ClN3O5S2/c1-15-4-9-18(24(26)27)12-19(15)23(31(2,28)29)13-20(25)22-10-3-11-30-14-16-5-7-17(21)8-6-16/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,22,25)