[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoate CAS Name: 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C28H30N2O7S MolecularWeight: 538.612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O7S/c1-18-5-9-21(28(2,3)4)14-25(18)38(33,34)30-22-10-7-20(8-11-22)27(32)35-16-26(31)29-15-19-6-12-23-24(13-19)37-17-36-23/h5-14,30H,15-17H2,1-4H3,(H,29,31)