1-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[5-[2-(p-tolyl)ethynyl]-2-thienyl]sulfonylamino]cyclohexanecarboxylic acid CAS Name: 1-[[5-[2-(4-methylphenyl)ethynyl]-2-thiophenyl]sulfonylamino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]cyclohexane-1-carboxylic acid Traditional Name: 1-[[5-[2-(p-tolyl)ethynyl]-2-thienyl]sulfonylamino]cyclohexanecarboxylic acid Formula: C20H21NO4S2 MolecularWeight: 403.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)NC3(CCCCC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)NC3(CCCCC3)C(=O)O

InChI

InChI=1S/C20H21NO4S2/c1-15-5-7-16(8-6-15)9-10-17-11-12-18(26-17)27(24,25)21-20(19(22)23)13-3-2-4-14-20/h5-8,11-12,21H,2-4,13-14H2,1H3,(H,22,23)