3-[4-(1-adamantylcarbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylic acid

Systemtic Name: 3-[4-(1-adamantylcarbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylic acid Openeye Name: 3-[4-(adamantane-1-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylic acid CAS Name: 3-[[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[4-(adamantane-1-carbonyl)piperazin-1-yl]sulfonylthiophene-2-carboxylic acid Traditional Name: 3-[4-(adamantane-1-carbonyl)piperazino]sulfonyl-2-thenoic acid Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=C(SC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=C(SC=C5)C(=O)O

InChI

InChI=1S/C20H26N2O5S2/c23-18(24)17-16(1-6-28-17)29(26,27)22-4-2-21(3-5-22)19(25)20-10-13-7-14(11-20)9-15(8-13)12-20/h1,6,13-15H,2-5,7-12H2,(H,23,24)