methyl 5-bromanyl-4-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-bromanyl-4-[3-(hydroxymethyl)piperidin-1-yl]sulfonyl-thiophene-2-carboxylate Openeye Name: methyl 5-bromo-4-[[3-(hydroxymethyl)-1-piperidyl]sulfonyl]thiophene-2-carboxylate CAS Name: 5-bromo-4-[[3-(hydroxymethyl)-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-bromo-4-[3-(hydroxymethyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 5-bromo-4-(3-methylolpiperidino)sulfonyl-thiophene-2-carboxylic acid methyl ester Formula: C12H16BrNO5S2 MolecularWeight: 398.29314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)Br)S(=O)(=O)N2CCCC(C2)CO

Isomeric SMILES

COC(=O)C1=CC(=C(S1)Br)S(=O)(=O)N2CCCC(C2)CO

InChI

InChI=1S/C12H16BrNO5S2/c1-19-12(16)9-5-10(11(13)20-9)21(17,18)14-4-2-3-8(6-14)7-15/h5,8,15H,2-4,6-7H2,1H3