(4-cyano-2-methoxy-phenyl) 1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate Openeye Name: (4-cyano-2-methoxy-phenyl) 1-[(5-methyl-2-thienyl)sulfonyl]piperidine-3-carboxylate CAS Name: 1-[(5-methyl-2-thiophenyl)sulfonyl]-3-piperidinecarboxylic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-[(5-methyl-2-thienyl)sulfonyl]nipecotic acid (4-cyano-2-methoxy-phenyl) ester Formula: C19H20N2O5S2 MolecularWeight: 420.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)OC3=C(C=C(C=C3)C#N)OC

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCCC(C2)C(=O)OC3=C(C=C(C=C3)C#N)OC

InChI

InChI=1S/C19H20N2O5S2/c1-13-5-8-18(27-13)28(23,24)21-9-3-4-15(12-21)19(22)26-16-7-6-14(11-20)10-17(16)25-2/h5-8,10,15H,3-4,9,12H2,1-2H3