N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-9-oxidanylidene-bicyclo[3.3.1]nonane-3-carboxamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-9-oxidanylidene-bicyclo[3.3.1]nonane-3-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-9-oxo-bicyclo[3.3.1]nonane-3-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-9-oxo-3-bicyclo[3.3.1]nonanecarboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide Traditional Name: 9-keto-N-[2-(4-mesyl-2-nitro-anilino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2CC3CCCC(C2)C3=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2CC3CCCC(C2)C3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H25N3O6S/c1-29(27,28)15-5-6-16(17(11-15)22(25)26)20-7-8-21-19(24)14-9-12-3-2-4-13(10-14)18(12)23/h5-6,11-14,20H,2-4,7-10H2,1H3,(H,21,24)