3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-naphthylsulfonylamino)propanoic acid CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-naphthalenylsulfonylamino)propanoic acid IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-naphthylsulfonylamino)propionic acid Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(CC(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(CC(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H19NO6S/c23-21(24)13-18(16-6-8-19-20(12-16)28-10-9-27-19)22-29(25,26)17-7-5-14-3-1-2-4-15(14)11-17/h1-8,11-12,18,22H,9-10,13H2,(H,23,24)