(5-methoxycarbonyl-4-methyl-furan-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (5-methoxycarbonyl-4-methyl-furan-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-methoxycarbonyl-4-methyl-2-furyl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid (5-methoxycarbonyl-4-methyl-2-furanyl)methyl ester IUPAC Name: (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid (5-carbomethoxy-4-methyl-2-furyl)methyl ester Formula: C24H31NO7S MolecularWeight: 477.57044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C24H31NO7S/c1-16-14-19(32-21(16)23(27)30-5)15-31-22(26)17-10-12-25(13-11-17)33(28,29)20-8-6-18(7-9-20)24(2,3)4/h6-9,14,17H,10-13,15H2,1-5H3