1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]piperidine-4-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C22H25N3O6S/c26-21-7-5-19(25(28)29)12-18(21)14-23-22(27)16-8-10-24(11-9-16)32(30,31)20-6-4-15-2-1-3-17(15)13-20/h4-7,12-13,16,26H,1-3,8-11,14H2,(H,23,27)