4-chloranyl-2-[2-(4-phenylbutylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[2-(4-phenylbutylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 4-chloro-2-[[2-(4-phenylbutylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4-chloro-2-[[1-oxo-2-(4-phenylbutylthio)ethyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[2-(4-phenylbutylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[2-(4-phenylbutylthio)acetyl]amino]benzoic acid Formula: C19H20ClNO3S MolecularWeight: 377.885

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCSCC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCSCC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C19H20ClNO3S/c20-15-9-10-16(19(23)24)17(12-15)21-18(22)13-25-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12H,4-5,8,11,13H2,(H,21,22)(H,23,24)