4-acetamido-3-[4-(phenylsulfonyloxy)phenyl]butanoic acid

Systemtic Name: 4-acetamido-3-[4-(phenylsulfonyloxy)phenyl]butanoic acid Openeye Name: 4-acetamido-3-[4-(benzenesulfonyloxy)phenyl]butanoic acid CAS Name: 4-acetamido-3-[4-(benzenesulfonyloxy)phenyl]butanoic acid IUPAC Name: 4-acetamido-3-[4-(benzenesulfonyloxy)phenyl]butanoic acid Traditional Name: 4-acetamido-3-(4-besyloxyphenyl)butyric acid Formula: C18H19NO6S MolecularWeight: 377.41156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(CC(=O)O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NCC(CC(=O)O)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H19NO6S/c1-13(20)19-12-15(11-18(21)22)14-7-9-16(10-8-14)25-26(23,24)17-5-3-2-4-6-17/h2-10,15H,11-12H2,1H3,(H,19,20)(H,21,22)