methyl 3-[3-(3-propan-2-yloxyphenyl)carbonylpiperidin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[3-(3-propan-2-yloxyphenyl)carbonylpiperidin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[[3-(3-isopropoxybenzoyl)-1-piperidyl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[3-[oxo-(3-propan-2-yloxyphenyl)methyl]-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(3-propan-2-yloxybenzoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[3-(3-isopropoxybenzoyl)piperidino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C21H25NO6S2 MolecularWeight: 451.5563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C21H25NO6S2/c1-14(2)28-17-8-4-6-15(12-17)19(23)16-7-5-10-22(13-16)30(25,26)18-9-11-29-20(18)21(24)27-3/h4,6,8-9,11-12,14,16H,5,7,10,13H2,1-3H3