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

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C21H32N2O7S MolecularWeight: 456.55298

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)CCCCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)CCCCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C21H32N2O7S/c1-3-7-16(2)23-20(24)15-30-21(25)8-5-4-6-11-22-31(26,27)17-9-10-18-19(14-17)29-13-12-28-18/h9-10,14,16,22H,3-8,11-13,15H2,1-2H3,(H,23,24)