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

Systemtic Name: ethyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-3-carboxylate CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-3-carboxylate Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)nipecotic acid ethyl ester Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H23NO6S/c1-2-22-17(19)13-5-3-8-18(12-13)25(20,21)14-6-7-15-16(11-14)24-10-4-9-23-15/h6-7,11,13H,2-5,8-10,12H2,1H3