1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-indan-5-ylsulfonyl-N-(2-methoxy-5-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-5-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(2-methoxy-5-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-indan-5-ylsulfonyl-N-(2-methoxy-5-nitro-phenyl)isonipecotamide Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C22H25N3O6S/c1-31-21-8-6-18(25(27)28)14-20(21)23-22(26)16-9-11-24(12-10-16)32(29,30)19-7-5-15-3-2-4-17(15)13-19/h5-8,13-14,16H,2-4,9-12H2,1H3,(H,23,26)