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

Systemtic Name: 2-methylpropyl 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Openeye Name: isobutyl 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-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C19H27NO6S MolecularWeight: 397.48578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H27NO6S/c1-14(2)13-26-19(21)15-6-8-20(9-7-15)27(22,23)16-4-5-17-18(12-16)25-11-3-10-24-17/h4-5,12,14-15H,3,6-11,13H2,1-2H3