methyl 5-[4-[3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate

Systemtic Name: methyl 5-[4-[3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Openeye Name: methyl 5-[4-[3-(2-tert-butylphenoxy)-2-hydroxy-propyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate CAS Name: 5-[[4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]sulfonylthiophene-3-carboxylate Traditional Name: 5-[4-[3-(2-tert-butylphenoxy)-2-hydroxy-propyl]piperazino]sulfonylthiophene-3-carboxylic acid methyl ester Formula: C23H32N2O6S2 MolecularWeight: 496.63998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(CN2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)OC)O

InChI

InChI=1S/C23H32N2O6S2/c1-23(2,3)19-7-5-6-8-20(19)31-15-18(26)14-24-9-11-25(12-10-24)33(28,29)21-13-17(16-32-21)22(27)30-4/h5-8,13,16,18,26H,9-12,14-15H2,1-4H3