4-acetamido-3-[3-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid

Systemtic Name: 4-acetamido-3-[3-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid Openeye Name: 4-acetamido-3-[3-(p-tolylsulfonyloxy)phenyl]butanoic acid CAS Name: 4-acetamido-3-[3-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid IUPAC Name: 4-acetamido-3-[3-(4-methylphenyl)sulfonyloxyphenyl]butanoic acid Traditional Name: 4-acetamido-3-(3-tosyloxyphenyl)butyric acid Formula: C19H21NO6S MolecularWeight: 391.43814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(CC(=O)O)CNC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(CC(=O)O)CNC(=O)C

InChI

InChI=1S/C19H21NO6S/c1-13-6-8-18(9-7-13)27(24,25)26-17-5-3-4-15(10-17)16(11-19(22)23)12-20-14(2)21/h3-10,16H,11-12H2,1-2H3,(H,20,21)(H,22,23)