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

Systemtic Name: N-[3-(4-chlorophenyl)sulfanylpropyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[3-[(4-chlorophenyl)thio]propyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[3-[(4-chlorophenyl)thio]propyl]-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C19H22ClN3O5S2 MolecularWeight: 471.97808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCSC2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCSC2=CC=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C19H22ClN3O5S2/c1-14-4-7-16(23(25)26)12-18(14)22(30(2,27)28)13-19(24)21-10-3-11-29-17-8-5-15(20)6-9-17/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,24)