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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN(C)C(=O)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

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