N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-4-methylsulfanyl-5-nitro-benzamide

Systemtic Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-4-methylsulfanyl-5-nitro-benzamide Openeye Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-4-methylsulfanyl-5-nitro-benzamide CAS Name: N-[1-(9-bicyclo[3.3.1]nonanyl)-3-pyrrolidinyl]-2-methoxy-4-(methylthio)-5-nitrobenzamide IUPAC Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-4-methylsulfanyl-5-nitrobenzamide Traditional Name: N-[1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-2-methoxy-4-(methylthio)-5-nitro-benzamide Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NC2CCN(C2)C3C4CCCC3CCC4)[N+](=O)[O-])SC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NC2CCN(C2)C3C4CCCC3CCC4)[N+](=O)[O-])SC

InChI

InChI=1S/C22H31N3O4S/c1-29-19-12-20(30-2)18(25(27)28)11-17(19)22(26)23-16-9-10-24(13-16)21-14-5-3-6-15(21)8-4-7-14/h11-12,14-16,21H,3-10,13H2,1-2H3,(H,23,26)