methyl 1-[[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-[(5-bromo-2-thienyl)sulfonyl]piperidine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[1-[(5-bromo-2-thiophenyl)sulfonyl]-4-piperidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-[(5-bromo-2-thienyl)sulfonyl]isonipecotoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C18H25BrN2O5S2 MolecularWeight: 493.4355

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H25BrN2O5S2/c1-26-17(23)18(9-3-2-4-10-18)20-16(22)13-7-11-21(12-8-13)28(24,25)15-6-5-14(19)27-15/h5-6,13H,2-4,7-12H2,1H3,(H,20,22)