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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

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