N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-9-oxidanylidene-bicyclo[3.3.1]nonane-3-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-9-oxidanylidene-bicyclo[3.3.1]nonane-3-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-9-oxo-bicyclo[3.3.1]nonane-3-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-9-oxo-3-bicyclo[3.3.1]nonanecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-9-keto-bicyclo[3.3.1]nonane-3-carboxamide Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3CC4CCCC(C3)C4=O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3CC4CCCC(C3)C4=O

InChI

InChI=1S/C23H32N2O5S/c1-30-21-10-9-19(31(28,29)25-11-4-2-3-5-12-25)15-20(21)24-23(27)18-13-16-7-6-8-17(14-18)22(16)26/h9-10,15-18H,2-8,11-14H2,1H3,(H,24,27)