ethyl 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)benzoyl]isonipecotic acid ethyl ester Formula: C24H28N2O7S MolecularWeight: 488.55332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H28N2O7S/c1-2-31-24(28)18-10-12-26(13-11-18)23(27)17-4-6-19(7-5-17)25-34(29,30)20-8-9-21-22(16-20)33-15-3-14-32-21/h4-9,16,18,25H,2-3,10-15H2,1H3