1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-methyl-3-nitro-phenyl)piperidine-4-carboxamide

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-methyl-3-nitro-phenyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-methyl-3-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-methyl-3-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-methyl-3-nitrophenyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(4-methyl-3-nitro-phenyl)isonipecotamide Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O7S/c1-15-3-4-17(13-19(15)25(27)28)23-22(26)16-7-9-24(10-8-16)33(29,30)18-5-6-20-21(14-18)32-12-2-11-31-20/h3-6,13-14,16H,2,7-12H2,1H3,(H,23,26)