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

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[3-(cyclohexylthio)propyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-[3-(cyclohexylthio)propyl]-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C19H29N3O5S2 MolecularWeight: 443.58066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCSC2CCCCC2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(=O)NCCCSC2CCCCC2)S(=O)(=O)C

InChI

InChI=1S/C19H29N3O5S2/c1-15-9-10-16(22(24)25)13-18(15)21(29(2,26)27)14-19(23)20-11-6-12-28-17-7-4-3-5-8-17/h9-10,13,17H,3-8,11-12,14H2,1-2H3,(H,20,23)