5-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylbutanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoylamino]-2-hydroxy-benzoic acid CAS Name: 5-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoylamino]-2-hydroxybenzoic acid Traditional Name: 5-[2-[[3-(cyclohexanecarbonylamino)phenyl]thio]butanoylamino]-2-hydroxy-benzoic acid Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5S/c1-2-21(23(29)26-17-11-12-20(27)19(14-17)24(30)31)32-18-10-6-9-16(13-18)25-22(28)15-7-4-3-5-8-15/h6,9-15,21,27H,2-5,7-8H2,1H3,(H,25,28)(H,26,29)(H,30,31)