ethyl 1-[5-[(2-chlorophenyl)methylsulfonylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-[(2-chlorophenyl)methylsulfonylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-[(2-chlorophenyl)methylsulfonylmethyl]furan-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-[(2-chlorophenyl)methylsulfonylmethyl]-2-furanyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[(2-chlorophenyl)methylsulfonylmethyl]furan-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-[(2-chlorobenzyl)sulfonylmethyl]-2-furoyl]nipecotic acid ethyl ester Formula: C21H24ClNO6S MolecularWeight: 453.93636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClNO6S/c1-2-28-21(25)15-7-5-11-23(12-15)20(24)19-10-9-17(29-19)14-30(26,27)13-16-6-3-4-8-18(16)22/h3-4,6,8-10,15H,2,5,7,11-14H2,1H3