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

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C25H24N2O7S MolecularWeight: 496.53226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H24N2O7S/c1-2-17-6-5-7-18(14-17)26-24(28)16-34-25(29)20-8-3-4-9-21(20)27-35(30,31)19-10-11-22-23(15-19)33-13-12-32-22/h3-11,14-15,27H,2,12-13,16H2,1H3,(H,26,28)