3-(3,4-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid

Systemtic Name: 3-(3,4-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid Openeye Name: 3-(3,4-dimethoxyphenyl)-3-(2-naphthylsulfonylamino)propanoic acid CAS Name: 3-(3,4-dimethoxyphenyl)-3-(2-naphthalenylsulfonylamino)propanoic acid IUPAC Name: 3-(3,4-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid Traditional Name: 3-(3,4-dimethoxyphenyl)-3-(2-naphthylsulfonylamino)propionic acid Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)OC

InChI

InChI=1S/C21H21NO6S/c1-27-19-10-8-16(12-20(19)28-2)18(13-21(23)24)22-29(25,26)17-9-7-14-5-3-4-6-15(14)11-17/h3-12,18,22H,13H2,1-2H3,(H,23,24)