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

Systemtic Name: 2-[2-(cyclohexylcarbonylamino)phenyl]sulfanylpentanoic acid Openeye Name: 2-[2-(cyclohexanecarbonylamino)phenyl]sulfanylpentanoic acid CAS Name: 2-[[2-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]pentanoic acid IUPAC Name: 2-[2-(cyclohexanecarbonylamino)phenyl]sulfanylpentanoic acid Traditional Name: 2-[[2-(cyclohexanecarbonylamino)phenyl]thio]valeric acid Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO3S/c1-2-8-16(18(21)22)23-15-12-7-6-11-14(15)19-17(20)13-9-4-3-5-10-13/h6-7,11-13,16H,2-5,8-10H2,1H3,(H,19,20)(H,21,22)