2-chloranyl-5-[3-[4-(5-phenylpentylsulfanyl)phenyl]propanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[3-[4-(5-phenylpentylsulfanyl)phenyl]propanoylamino]benzoic acid Openeye Name: 2-chloro-5-[3-[4-(5-phenylpentylsulfanyl)phenyl]propanoylamino]benzoic acid CAS Name: 2-chloro-5-[[1-oxo-3-[4-(5-phenylpentylthio)phenyl]propyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[3-[4-(5-phenylpentylsulfanyl)phenyl]propanoylamino]benzoic acid Traditional Name: 2-chloro-5-[3-[4-(5-phenylpentylthio)phenyl]propanoylamino]benzoic acid Formula: C27H28ClNO3S MolecularWeight: 482.03412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCSC2=CC=C(C=C2)CCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCSC2=CC=C(C=C2)CCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C27H28ClNO3S/c28-25-16-13-22(19-24(25)27(31)32)29-26(30)17-12-21-10-14-23(15-11-21)33-18-6-2-5-9-20-7-3-1-4-8-20/h1,3-4,7-8,10-11,13-16,19H,2,5-6,9,12,17-18H2,(H,29,30)(H,31,32)