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

Systemtic Name: 4-chloranyl-3-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 4-chloro-3-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 4-chloro-3-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 4-chloro-3-[2-[[3-(cyclohexanecarbonylamino)phenyl]thio]butanoylamino]benzoic acid Formula: C24H27ClN2O4S MolecularWeight: 475.00018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27ClN2O4S/c1-2-21(23(29)27-20-13-16(24(30)31)11-12-19(20)25)32-18-10-6-9-17(14-18)26-22(28)15-7-4-3-5-8-15/h6,9-15,21H,2-5,7-8H2,1H3,(H,26,28)(H,27,29)(H,30,31)