methyl 3-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carbonyl]amino]propanoate CAS Name: 3-[[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carbonyl]amino]propanoate Traditional Name: 3-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotoyl]amino]propionic acid methyl ester Formula: C19H26N2O7S MolecularWeight: 426.48394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O7S/c1-26-18(22)5-8-20-19(23)14-6-9-21(10-7-14)29(24,25)15-3-4-16-17(13-15)28-12-2-11-27-16/h3-4,13-14H,2,5-12H2,1H3,(H,20,23)