ethyl 1-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]isonipecotic acid ethyl ester Formula: C20H28N2O7S MolecularWeight: 440.51052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H28N2O7S/c1-3-27-20(24)15-7-9-22(10-8-15)19(23)14-21(2)30(25,26)16-5-6-17-18(13-16)29-12-4-11-28-17/h5-6,13,15H,3-4,7-12,14H2,1-2H3