methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(2,2-dimethylpropanoylamino)methyl]benzoate

Systemtic Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(2,2-dimethylpropanoylamino)methyl]benzoate Openeye Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(2,2-dimethylpropanoylamino)methyl]benzoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[[(2,2-dimethyl-1-oxopropyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(2,2-dimethylpropanoylamino)methyl]benzoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(pivaloylamino)methyl]benzoic acid methyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NCC1=CC(=CC(=C1)C(=O)OC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)(C)C(=O)NCC1=CC(=CC(=C1)C(=O)OC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H26N2O7S/c1-22(2,3)21(26)23-13-14-9-15(20(25)29-4)11-16(10-14)24-32(27,28)17-5-6-18-19(12-17)31-8-7-30-18/h5-6,9-12,24H,7-8,13H2,1-4H3,(H,23,26)