methyl 3-(acetamidomethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate

Systemtic Name: methyl 3-(acetamidomethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: methyl 3-(acetamidomethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 3-(acetamidomethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid methyl ester IUPAC Name: methyl 3-(acetamidomethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 3-(acetamidomethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid methyl ester Formula: C19H20N2O7S MolecularWeight: 420.4363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O7S/c1-12(22)20-11-13-7-14(19(23)26-2)9-15(8-13)21-29(24,25)16-3-4-17-18(10-16)28-6-5-27-17/h3-4,7-10,21H,5-6,11H2,1-2H3,(H,20,22)