(1-azanyl-1-oxidanylidene-propan-2-yl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C(=O)N)OC(=O)C1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H18N2O7S/c1-11(17(19)21)27-18(22)13-4-2-3-5-14(13)20-28(23,24)12-6-7-15-16(10-12)26-9-8-25-15/h2-7,10-11,20H,8-9H2,1H3,(H2,19,21)