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

Systemtic Name: N-[3-(4-methylphenyl)sulfanylpropyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-[3-(p-tolylsulfanyl)propyl]acetamide CAS Name: N-[3-[(4-methylphenyl)thio]propyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[3-(4-methylphenyl)sulfanylpropyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-[3-(p-tolylthio)propyl]acetamide Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S2/c1-15-7-9-18(10-8-15)28-12-4-11-20-19(23)14-21(29(2,26)27)16-5-3-6-17(13-16)22(24)25/h3,5-10,13H,4,11-12,14H2,1-2H3,(H,20,23)