2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl adamantane-1-carboxylate hydrochloride

Systemtic Name: 2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl adamantane-1-carboxylate hydrochloride Openeye Name: 2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethyl adamantane-1-carboxylate hydrochloride CAS Name: 1-adamantanecarboxylic acid 2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl ester hydrochloride IUPAC Name: 2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl adamantane-1-carboxylate hydrochloride Traditional Name: adamantane-1-carboxylic acid 2-[4-(2-thienylsulfonyl)piperazino]ethyl ester hydrochloride Formula: C21H31ClN2O4S2 MolecularWeight: 475.06484

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CS5.Cl

Isomeric SMILES

C1CN(CCN1CCOC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CS5.Cl

InChI

InChI=1S/C21H30N2O4S2.ClH/c24-20(21-13-16-10-17(14-21)12-18(11-16)15-21)27-8-7-22-3-5-23(6-4-22)29(25,26)19-2-1-9-28-19;/h1-2,9,16-18H,3-8,10-15H2;1H