4-[[4-chloranyl-3-(2-chloroethylsulfanyl)butanoyl]amino]benzoic acid

Systemtic Name: 4-[[4-chloranyl-3-(2-chloroethylsulfanyl)butanoyl]amino]benzoic acid Openeye Name: 4-[[4-chloro-3-(2-chloroethylsulfanyl)butanoyl]amino]benzoic acid CAS Name: 4-[[4-chloro-3-(2-chloroethylthio)-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[[4-chloro-3-(2-chloroethylsulfanyl)butanoyl]amino]benzoic acid Traditional Name: 4-[[4-chloro-3-(2-chloroethylthio)butanoyl]amino]benzoic acid Formula: C13H15Cl2NO3S MolecularWeight: 336.2341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CC(CCl)SCCCl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CC(CCl)SCCCl

InChI

InChI=1S/C13H15Cl2NO3S/c14-5-6-20-11(8-15)7-12(17)16-10-3-1-9(2-4-10)13(18)19/h1-4,11H,5-8H2,(H,16,17)(H,18,19)