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

Systemtic Name: 4-chloranyl-3-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-chloro-3-[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=C(C=CC(=C1)C(=O)O)Cl)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

Isomeric SMILES

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

InChI

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