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

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-2-[methylsulfonyl-(3-nitrophenyl)amino]ethanamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-2-(N-methylsulfonyl-3-nitro-anilino)acetamide CAS Name: N-[3-(cyclohexylthio)propyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-2-(N-methylsulfonyl-3-nitroanilino)acetamide Traditional Name: N-[3-(cyclohexylthio)propyl]-2-(N-mesyl-3-nitro-anilino)acetamide Formula: C18H27N3O5S2 MolecularWeight: 429.55408

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NCCCSC1CCCCC1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NCCCSC1CCCCC1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O5S2/c1-28(25,26)20(15-7-5-8-16(13-15)21(23)24)14-18(22)19-11-6-12-27-17-9-3-2-4-10-17/h5,7-8,13,17H,2-4,6,9-12,14H2,1H3,(H,19,22)