3-(1,3-benzodioxol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-(2-naphthylsulfonylamino)propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-(2-naphthalenylsulfonylamino)propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-(2-naphthylsulfonylamino)propionic acid Formula: C20H17NO6S MolecularWeight: 399.41708

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H17NO6S/c22-20(23)11-17(15-6-8-18-19(10-15)27-12-26-18)21-28(24,25)16-7-5-13-3-1-2-4-14(13)9-16/h1-10,17,21H,11-12H2,(H,22,23)