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

Systemtic Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(2-ethylbutanoylamino)methyl]benzoate Openeye Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(2-ethylbutanoylamino)methyl]benzoate CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[[(2-ethyl-1-oxobutyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(2-ethylbutanoylamino)methyl]benzoate Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-5-[(2-ethylbutanoylamino)methyl]benzoic acid methyl ester Formula: C23H28N2O7S MolecularWeight: 476.54262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O7S/c1-4-16(5-2)22(26)24-14-15-10-17(23(27)30-3)12-18(11-15)25-33(28,29)19-6-7-20-21(13-19)32-9-8-31-20/h6-7,10-13,16,25H,4-5,8-9,14H2,1-3H3,(H,24,26)