3-(2,4-dimethylphenyl)-2-(naphthalen-1-ylsulfonylamino)propanoic acid

Systemtic Name: 3-(2,4-dimethylphenyl)-2-(naphthalen-1-ylsulfonylamino)propanoic acid Openeye Name: 3-(2,4-dimethylphenyl)-2-(1-naphthylsulfonylamino)propanoic acid CAS Name: 3-(2,4-dimethylphenyl)-2-(1-naphthalenylsulfonylamino)propanoic acid IUPAC Name: 3-(2,4-dimethylphenyl)-2-(naphthalen-1-ylsulfonylamino)propanoic acid Traditional Name: 3-(2,4-dimethylphenyl)-2-(1-naphthylsulfonylamino)propionic acid Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=CC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=CC3=CC=CC=C32)C

InChI

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