N-(3-cyclohexylsulfanylpropyl)-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[3-(cyclohexylthio)propyl]-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[3-(cyclohexylthio)propyl]-2-(N-mesyl-2-methoxy-5-nitro-anilino)acetamide Formula: C19H29N3O6S2 MolecularWeight: 459.58006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCSC2CCCCC2)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCSC2CCCCC2)S(=O)(=O)C

InChI

InChI=1S/C19H29N3O6S2/c1-28-18-10-9-15(22(24)25)13-17(18)21(30(2,26)27)14-19(23)20-11-6-12-29-16-7-4-3-5-8-16/h9-10,13,16H,3-8,11-12,14H2,1-2H3,(H,20,23)