4-[2-(cyclohexylcarbonylamino)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[2-(cyclohexylcarbonylamino)phenyl]sulfanylbutanoic acid Openeye Name: 4-[2-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoic acid CAS Name: 4-[[2-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]butanoic acid IUPAC Name: 4-[2-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[2-(cyclohexanecarbonylamino)phenyl]thio]butyric acid Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=CC=C2SCCCC(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=CC=C2SCCCC(=O)O

InChI

InChI=1S/C17H23NO3S/c19-16(20)11-6-12-22-15-10-5-4-9-14(15)18-17(21)13-7-2-1-3-8-13/h4-5,9-10,13H,1-3,6-8,11-12H2,(H,18,21)(H,19,20)