[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetate CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetate Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)CNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)CNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C18H26N2O7S/c1-4-18(2,3)20-16(21)12-27-17(22)11-19-28(23,24)13-6-7-14-15(10-13)26-9-5-8-25-14/h6-7,10,19H,4-5,8-9,11-12H2,1-3H3,(H,20,21)