(2,3,6-trimethylphenyl) 1-(5-bromanylthiophen-2-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 1-(5-bromanylthiophen-2-yl)sulfonylpiperidine-4-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 1-[(5-bromo-2-thienyl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-4-piperidinecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]isonipecotic acid (2,3,6-trimethylphenyl) ester Formula: C19H22BrNO4S2 MolecularWeight: 472.41628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO4S2/c1-12-4-5-13(2)18(14(12)3)25-19(22)15-8-10-21(11-9-15)27(23,24)17-7-6-16(20)26-17/h4-7,15H,8-11H2,1-3H3