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

Systemtic Name: 3-(3,4-dimethylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid Openeye Name: 3-(3,4-dimethylphenyl)-3-(2-naphthylsulfonylamino)propanoic acid CAS Name: 3-(3,4-dimethylphenyl)-3-(2-naphthalenylsulfonylamino)propanoic acid IUPAC Name: 3-(3,4-dimethylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanoic acid Traditional Name: 3-(3,4-dimethylphenyl)-3-(2-naphthylsulfonylamino)propionic acid Formula: C21H21NO4S MolecularWeight: 383.46074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(CC(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C21H21NO4S/c1-14-7-8-18(11-15(14)2)20(13-21(23)24)22-27(25,26)19-10-9-16-5-3-4-6-17(16)12-19/h3-12,20,22H,13H2,1-2H3,(H,23,24)