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

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]ethyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-[2-(p-tolylthio)ethyl]acetamide Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C18H21N3O5S2/c1-14-6-8-17(9-7-14)27-11-10-19-18(22)13-20(28(2,25)26)15-4-3-5-16(12-15)21(23)24/h3-9,12H,10-11,13H2,1-2H3,(H,19,22)