ethyl 1-(5-methylthiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(5-methylthiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(5-methyl-2-thienyl)sulfonyl]-4-(2-phenoxyethyl)piperidine-4-carboxylate CAS Name: 1-[(5-methyl-2-thiophenyl)sulfonyl]-4-(2-phenoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-methylthiophen-2-yl)sulfonyl-4-(2-phenoxyethyl)piperidine-4-carboxylate Traditional Name: 1-[(5-methyl-2-thienyl)sulfonyl]-4-(2-phenoxyethyl)isonipecotic acid ethyl ester Formula: C21H27NO5S2 MolecularWeight: 437.57278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=C(S2)C)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=C(S2)C)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H27NO5S2/c1-3-26-20(23)21(13-16-27-18-7-5-4-6-8-18)11-14-22(15-12-21)29(24,25)19-10-9-17(2)28-19/h4-10H,3,11-16H2,1-2H3