N-(2-cyclohexylsulfanylethyl)-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide

Systemtic Name: N-(2-cyclohexylsulfanylethyl)-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-[2-(cyclohexylthio)ethyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-(2-cyclohexylsulfanylethyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: N-[2-(cyclohexylthio)ethyl]-2-(N-mesyl-3-nitro-anilino)acetamide Formula: C17H25N3O5S2 MolecularWeight: 415.5275

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O5S2/c1-27(24,25)19(14-6-5-7-15(12-14)20(22)23)13-17(21)18-10-11-26-16-8-3-2-4-9-16/h5-7,12,16H,2-4,8-11,13H2,1H3,(H,18,21)