tert-butyl 4-[4-(5-butylthiophen-2-yl)piperidin-1-yl]sulfonyloxane-4-carboxylate

Systemtic Name: tert-butyl 4-[4-(5-butylthiophen-2-yl)piperidin-1-yl]sulfonyloxane-4-carboxylate Openeye Name: tert-butyl 4-[[4-(5-butyl-2-thienyl)-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylate CAS Name: 4-[[4-(5-butyl-2-thiophenyl)-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(5-butylthiophen-2-yl)piperidin-1-yl]sulfonyloxane-4-carboxylate Traditional Name: 4-[4-(5-butyl-2-thienyl)piperidino]sulfonyltetrahydropyran-4-carboxylic acid tert-butyl ester Formula: C23H37NO5S2 MolecularWeight: 471.67358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(S1)C2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=CC=C(S1)C2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H37NO5S2/c1-5-6-7-19-8-9-20(30-19)18-10-14-24(15-11-18)31(26,27)23(12-16-28-17-13-23)21(25)29-22(2,3)4/h8-9,18H,5-7,10-17H2,1-4H3