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

Systemtic Name: (2-nitrophenyl)methyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Openeye Name: (2-nitrophenyl)methyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotic acid (2-nitrobenzyl) ester Formula: C22H24N2O8S MolecularWeight: 476.49956

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC4=CC=CC=C4[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)OCC4=CC=CC=C4[N+](=O)[O-])OC1

InChI

InChI=1S/C22H24N2O8S/c25-22(32-15-17-4-1-2-5-19(17)24(26)27)16-8-10-23(11-9-16)33(28,29)18-6-7-20-21(14-18)31-13-3-12-30-20/h1-2,4-7,14,16H,3,8-13,15H2