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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=CC=CC=C1NC(=O)C2CCCCC2

Isomeric SMILES

CCC(C(=O)O)SC1=CC=CC=C1NC(=O)C2CCCCC2

InChI

InChI=1S/C17H23NO3S/c1-2-14(17(20)21)22-15-11-7-6-10-13(15)18-16(19)12-8-4-3-5-9-12/h6-7,10-12,14H,2-5,8-9H2,1H3,(H,18,19)(H,20,21)