ethyl 4-oxidanyl-7-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzodioxole-5-carboxylate

Systemtic Name: ethyl 4-oxidanyl-7-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzodioxole-5-carboxylate Openeye Name: ethyl 4-hydroxy-7-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzodioxole-5-carboxylate CAS Name: 4-hydroxy-7-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzodioxole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-7-[(2,4,6-trimethylphenyl)sulfonylamino]-1,3-benzodioxole-5-carboxylate Traditional Name: 4-hydroxy-7-(mesitylsulfonylamino)-piperonylic acid ethyl ester Formula: C19H21NO7S MolecularWeight: 407.43754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C(=C1O)OCO2)NS(=O)(=O)C3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C2C(=C1O)OCO2)NS(=O)(=O)C3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C19H21NO7S/c1-5-25-19(22)13-8-14(16-17(15(13)21)27-9-26-16)20-28(23,24)18-11(3)6-10(2)7-12(18)4/h6-8,20-21H,5,9H2,1-4H3