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

Systemtic Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(2-methylpropanoylamino)methyl]benzoate Openeye Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(2-methylpropanoylamino)methyl]benzoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[[(2-methyl-1-oxopropyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(2-methylpropanoylamino)methyl]benzoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(isobutyrylamino)methyl]benzoic acid methyl ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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