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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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