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

Systemtic Name: 3-(acetamidomethyl)-4-[4-(phenylsulfonyloxy)phenyl]butanoic acid Openeye Name: 3-(acetamidomethyl)-4-[4-(benzenesulfonyloxy)phenyl]butanoic acid CAS Name: 3-(acetamidomethyl)-4-[4-(benzenesulfonyloxy)phenyl]butanoic acid IUPAC Name: 3-(acetamidomethyl)-4-[4-(benzenesulfonyloxy)phenyl]butanoic acid Traditional Name: 3-(acetamidomethyl)-4-(4-besyloxyphenyl)butyric acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC(=O)NCC(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C19H21NO6S/c1-14(21)20-13-16(12-19(22)23)11-15-7-9-17(10-8-15)26-27(24,25)18-5-3-2-4-6-18/h2-10,16H,11-13H2,1H3,(H,20,21)(H,22,23)