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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)CCCCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)CCCCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C21H32N2O7S/c1-16(2)9-11-22-20(24)15-30-21(25)6-4-3-5-10-23-31(26,27)17-7-8-18-19(14-17)29-13-12-28-18/h7-8,14,16,23H,3-6,9-13,15H2,1-2H3,(H,22,24)