2-azanyl-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid Openeye Name: 2-amino-3-[4-(p-tolylsulfonyloxy)phenyl]propanoic acid CAS Name: 2-amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid Traditional Name: 2-amino-3-(4-tosyloxyphenyl)propionic acid Formula: C16H17NO5S MolecularWeight: 335.37488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO5S/c1-11-2-8-14(9-3-11)23(20,21)22-13-6-4-12(5-7-13)10-15(17)16(18)19/h2-9,15H,10,17H2,1H3,(H,18,19)