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

Systemtic Name: methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]amino]benzoate Openeye Name: methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]amino]benzoate CAS Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoyl]amino]benzoate Traditional Name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoyl]amino]benzoic acid methyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H24N2O7S/c1-13(2)19(20(24)22-15-6-4-14(5-7-15)21(25)28-3)23-31(26,27)16-8-9-17-18(12-16)30-11-10-29-17/h4-9,12-13,19,23H,10-11H2,1-3H3,(H,22,24)