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

Systemtic Name: 3-acetamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid Openeye Name: 3-acetamido-3-[4-(p-tolylsulfonyloxy)phenyl]propanoic acid CAS Name: 3-acetamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid IUPAC Name: 3-acetamido-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid Traditional Name: 3-acetamido-3-(4-tosyloxyphenyl)propionic acid Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO6S/c1-12-3-9-16(10-4-12)26(23,24)25-15-7-5-14(6-8-15)17(11-18(21)22)19-13(2)20/h3-10,17H,11H2,1-2H3,(H,19,20)(H,21,22)