3-phenyl-4-[4-[2-[3-(propanoylamino)phenyl]ethyl]phenyl]sulfonyl-butanoic acid

Systemtic Name: 3-phenyl-4-[4-[2-[3-(propanoylamino)phenyl]ethyl]phenyl]sulfonyl-butanoic acid Openeye Name: 3-phenyl-4-[4-[2-[3-(propanoylamino)phenyl]ethyl]phenyl]sulfonyl-butanoic acid CAS Name: 4-[4-[2-[3-(1-oxopropylamino)phenyl]ethyl]phenyl]sulfonyl-3-phenylbutanoic acid IUPAC Name: 3-phenyl-4-[4-[2-[3-(propanoylamino)phenyl]ethyl]phenyl]sulfonylbutanoic acid Traditional Name: 3-phenyl-4-[4-[2-(3-propionamidophenyl)ethyl]phenyl]sulfonyl-butyric acid Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1)CCC2=CC=C(C=C2)S(=O)(=O)CC(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1)CCC2=CC=C(C=C2)S(=O)(=O)CC(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C27H29NO5S/c1-2-26(29)28-24-10-6-7-21(17-24)12-11-20-13-15-25(16-14-20)34(32,33)19-23(18-27(30)31)22-8-4-3-5-9-22/h3-10,13-17,23H,2,11-12,18-19H2,1H3,(H,28,29)(H,30,31)