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

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: 2-(N-methylsulfonyl-3-nitro-anilino)-N-[2-(p-tolylmethylsulfanyl)ethyl]acetamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: 2-(N-mesyl-3-nitro-anilino)-N-[2-[(4-methylbenzyl)thio]ethyl]acetamide Formula: C19H23N3O5S2 MolecularWeight: 437.53302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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