(4-cyano-2-methoxy-phenyl) 1-(5-bromanylthiophen-2-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 1-(5-bromanylthiophen-2-yl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-cyano-2-methoxy-phenyl) 1-[(5-bromo-2-thienyl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-4-piperidinecarboxylic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]isonipecotic acid (4-cyano-2-methoxy-phenyl) ester Formula: C18H17BrN2O5S2 MolecularWeight: 485.37198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H17BrN2O5S2/c1-25-15-10-12(11-20)2-3-14(15)26-18(22)13-6-8-21(9-7-13)28(23,24)17-5-4-16(19)27-17/h2-5,10,13H,6-9H2,1H3