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

Systemtic Name: methyl 4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-5-bromanyl-thiophene-2-carboxylate Openeye Name: methyl 4-[[4-(aminomethyl)-1-piperidyl]sulfonyl]-5-bromo-thiophene-2-carboxylate CAS Name: 4-[[4-(aminomethyl)-1-piperidinyl]sulfonyl]-5-bromo-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-5-bromothiophene-2-carboxylate Traditional Name: 4-[4-(aminomethyl)piperidino]sulfonyl-5-bromo-thiophene-2-carboxylic acid methyl ester Formula: C12H17BrN2O4S2 MolecularWeight: 397.30838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)Br)S(=O)(=O)N2CCC(CC2)CN

Isomeric SMILES

COC(=O)C1=CC(=C(S1)Br)S(=O)(=O)N2CCC(CC2)CN

InChI

InChI=1S/C12H17BrN2O4S2/c1-19-12(16)9-6-10(11(13)20-9)21(17,18)15-4-2-8(7-14)3-5-15/h6,8H,2-5,7,14H2,1H3