2-[2-(cyclohexylcarbonylamino)phenyl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-[2-(cyclohexylcarbonylamino)phenyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[2-(cyclohexanecarbonylamino)phenyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[2-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[2-(cyclohexanecarbonylamino)phenyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[2-(cyclohexanecarbonylamino)phenyl]thio]-2-methyl-propionic acid Formula: C17H23NO3S MolecularWeight: 321.43442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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