2-[2-[2-(4-pentylphenyl)propanoylamino]phenyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[2-(4-pentylphenyl)propanoylamino]phenyl]sulfanylbenzoic acid Openeye Name: 2-[2-[2-(4-pentylphenyl)propanoylamino]phenyl]sulfanylbenzoic acid CAS Name: 2-[[2-[[1-oxo-2-(4-pentylphenyl)propyl]amino]phenyl]thio]benzoic acid IUPAC Name: 2-[2-[2-(4-pentylphenyl)propanoylamino]phenyl]sulfanylbenzoic acid Traditional Name: 2-[[2-[2-(4-amylphenyl)propanoylamino]phenyl]thio]benzoic acid Formula: C27H29NO3S MolecularWeight: 447.58906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(C)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(C)C(=O)NC2=CC=CC=C2SC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C27H29NO3S/c1-3-4-5-10-20-15-17-21(18-16-20)19(2)26(29)28-23-12-7-9-14-25(23)32-24-13-8-6-11-22(24)27(30)31/h6-9,11-19H,3-5,10H2,1-2H3,(H,28,29)(H,30,31)