ethyl 1-[4-(4-chlorophenyl)sulfonyl-3-methyl-thiophen-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(4-chlorophenyl)sulfonyl-3-methyl-thiophen-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(4-chlorophenyl)sulfonyl-3-methyl-thiophene-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[4-(4-chlorophenyl)sulfonyl-3-methyl-2-thiophenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-chlorophenyl)sulfonyl-3-methylthiophene-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[4-(4-chlorophenyl)sulfonyl-3-methyl-thiophene-2-carbonyl]isonipecotic acid ethyl ester Formula: C20H22ClNO5S2 MolecularWeight: 455.97538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C(=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C(=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C20H22ClNO5S2/c1-3-27-20(24)14-8-10-22(11-9-14)19(23)18-13(2)17(12-28-18)29(25,26)16-6-4-15(21)5-7-16/h4-7,12,14H,3,8-11H2,1-2H3