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

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Openeye Name: [2-(3-ethylanilino)-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-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-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-(3-ethylanilino)-2-keto-ethyl] ester Formula: C24H30N2O7S MolecularWeight: 490.5692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)CCCCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C24H30N2O7S/c1-2-18-7-6-8-19(15-18)26-23(27)17-33-24(28)9-4-3-5-12-25-34(29,30)20-10-11-21-22(16-20)32-14-13-31-21/h6-8,10-11,15-16,25H,2-5,9,12-14,17H2,1H3,(H,26,27)