[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate CAS Name: 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C25H24N2O7S MolecularWeight: 496.53226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

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