N-[2-(4-chlorophenyl)sulfanylethyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-2-(N-mesyl-3-nitro-anilino)acetamide Formula: C17H18ClN3O5S2 MolecularWeight: 443.92492

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCSC1=CC=C(C=C1)Cl)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCSC1=CC=C(C=C1)Cl)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H18ClN3O5S2/c1-28(25,26)20(14-3-2-4-15(11-14)21(23)24)12-17(22)19-9-10-27-16-7-5-13(18)6-8-16/h2-8,11H,9-10,12H2,1H3,(H,19,22)