(4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 1-[2,6-bis(chloranyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 1-[2,6-bis(chloranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (4-methoxycarbonyl-5-methyl-2-furyl)methyl 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,6-dichlorophenyl)sulfonyl-4-piperidinecarboxylic acid (4-methoxycarbonyl-5-methyl-2-furanyl)methyl ester IUPAC Name: (4-methoxycarbonyl-5-methylfuran-2-yl)methyl 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,6-dichlorophenyl)sulfonylisonipecotic acid (4-carbomethoxy-5-methyl-2-furyl)methyl ester Formula: C20H21Cl2NO7S MolecularWeight: 490.35424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl)C(=O)OC

InChI

InChI=1S/C20H21Cl2NO7S/c1-12-15(20(25)28-2)10-14(30-12)11-29-19(24)13-6-8-23(9-7-13)31(26,27)18-16(21)4-3-5-17(18)22/h3-5,10,13H,6-9,11H2,1-2H3