N-[3-[(2-methylphenyl)methylsulfanyl]propyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-[3-[(2-methylphenyl)methylsulfanyl]propyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-[3-(o-tolylmethylsulfanyl)propyl]acetamide CAS Name: N-[3-[(2-methylphenyl)methylthio]propyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[3-[(2-methylphenyl)methylsulfanyl]propyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-[3-[(2-methylbenzyl)thio]propyl]acetamide Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CSCCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C20H25N3O5S2/c1-16-7-3-4-8-17(16)15-29-12-6-11-21-20(24)14-22(30(2,27)28)18-9-5-10-19(13-18)23(25)26/h3-5,7-10,13H,6,11-12,14-15H2,1-2H3,(H,21,24)