(4-methylphenyl) 1-(5-bromanylthiophen-2-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-methylphenyl) 1-(5-bromanylthiophen-2-yl)sulfonylpiperidine-4-carboxylate Openeye Name: p-tolyl 1-[(5-bromo-2-thienyl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-4-piperidinecarboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]isonipecotic acid p-tolyl ester Formula: C17H18BrNO4S2 MolecularWeight: 444.36312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C17H18BrNO4S2/c1-12-2-4-14(5-3-12)23-17(20)13-8-10-19(11-9-13)25(21,22)16-7-6-15(18)24-16/h2-7,13H,8-11H2,1H3