2-chloranyl-5-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-[[3-(cyclohexanecarbonylamino)phenyl]thio]propanoylamino]benzoic acid Formula: C23H25ClN2O4S MolecularWeight: 460.9736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C23H25ClN2O4S/c1-14(21(27)25-17-10-11-20(24)19(13-17)23(29)30)31-18-9-5-8-16(12-18)26-22(28)15-6-3-2-4-7-15/h5,8-15H,2-4,6-7H2,1H3,(H,25,27)(H,26,28)(H,29,30)