1-[[5-(2-methylsulfanyl-4H-pyrimidin-3-yl)thiophen-2-yl]sulfonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[5-(2-methylsulfanyl-4H-pyrimidin-3-yl)thiophen-2-yl]sulfonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[5-(2-methylsulfanyl-4H-pyrimidin-3-yl)-2-thienyl]sulfonylamino]cyclohexanecarboxylic acid CAS Name: 1-[[5-[2-(methylthio)-4H-pyrimidin-3-yl]-2-thiophenyl]sulfonylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[5-(2-methylsulfanyl-4H-pyrimidin-3-yl)thiophen-2-yl]sulfonylamino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[5-[2-(methylthio)-4H-pyrimidin-3-yl]-2-thienyl]sulfonylamino]cyclohexanecarboxylic acid Formula: C16H21N3O4S3 MolecularWeight: 415.55064

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CCN1C2=CC=C(S2)S(=O)(=O)NC3(CCCCC3)C(=O)O

Isomeric SMILES

CSC1=NC=CCN1C2=CC=C(S2)S(=O)(=O)NC3(CCCCC3)C(=O)O

InChI

InChI=1S/C16H21N3O4S3/c1-24-15-17-10-5-11-19(15)12-6-7-13(25-12)26(22,23)18-16(14(20)21)8-3-2-4-9-16/h5-7,10,18H,2-4,8-9,11H2,1H3,(H,20,21)