1-azanyl-2-(4-chlorophenyl)sulfanyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-azanyl-2-(4-chlorophenyl)sulfanyl-cyclohexane-1-carboxylic acid Openeye Name: 1-amino-2-(4-chlorophenyl)sulfanyl-cyclohexanecarboxylic acid CAS Name: 1-amino-2-[(4-chlorophenyl)thio]-1-cyclohexanecarboxylic acid IUPAC Name: 1-amino-2-(4-chlorophenyl)sulfanylcyclohexane-1-carboxylic acid Traditional Name: 1-amino-2-[(4-chlorophenyl)thio]cyclohexanecarboxylic acid Formula: C13H16ClNO2S MolecularWeight: 285.78964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)SC2=CC=C(C=C2)Cl)(C(=O)O)N

Isomeric SMILES

C1CCC(C(C1)SC2=CC=C(C=C2)Cl)(C(=O)O)N

InChI

InChI=1S/C13H16ClNO2S/c14-9-4-6-10(7-5-9)18-11-3-1-2-8-13(11,15)12(16)17/h4-7,11H,1-3,8,15H2,(H,16,17)