(4-chloranyl-2-methyl-phenyl) 1-(5-bromanylthiophen-2-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 1-(5-bromanylthiophen-2-yl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-chloro-2-methyl-phenyl) 1-[(5-bromo-2-thienyl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-4-piperidinecarboxylic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]isonipecotic acid (4-chloro-2-methyl-phenyl) ester Formula: C17H17BrClNO4S2 MolecularWeight: 478.80818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrClNO4S2/c1-11-10-13(19)2-3-14(11)24-17(21)12-6-8-20(9-7-12)26(22,23)16-5-4-15(18)25-16/h2-5,10,12H,6-9H2,1H3