[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyric acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H30N2O7S MolecularWeight: 442.5264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C(C(C)C)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C(C(C)C)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C20H30N2O7S/c1-5-14(6-2)21-18(23)12-29-20(24)19(13(3)4)22-30(25,26)15-7-8-16-17(11-15)28-10-9-27-16/h7-8,11,13-14,19,22H,5-6,9-10,12H2,1-4H3,(H,21,23)