ethyl 1-(5-chloranylthiophen-2-yl)sulfonyl-4-(oxan-2-ylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(5-chloranylthiophen-2-yl)sulfonyl-4-(oxan-2-ylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(5-chloro-2-thienyl)sulfonyl]-4-(tetrahydropyran-2-ylmethyl)piperidine-4-carboxylate CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-4-(2-oxanylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-chlorothiophen-2-yl)sulfonyl-4-(oxan-2-ylmethyl)piperidine-4-carboxylate Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-4-(tetrahydropyran-2-ylmethyl)isonipecotic acid ethyl ester Formula: C18H26ClNO5S2 MolecularWeight: 435.98574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl)CC3CCCCO3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl)CC3CCCCO3

InChI

InChI=1S/C18H26ClNO5S2/c1-2-24-17(21)18(13-14-5-3-4-12-25-14)8-10-20(11-9-18)27(22,23)16-7-6-15(19)26-16/h6-7,14H,2-5,8-13H2,1H3