(4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C23H31NO4S2 MolecularWeight: 449.62654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3)C)C(C)(C)C

InChI

InChI=1S/C23H31NO4S2/c1-16-13-19(23(3,4)5)14-17(2)20(16)15-28-22(25)18-8-10-24(11-9-18)30(26,27)21-7-6-12-29-21/h6-7,12-14,18H,8-11,15H2,1-5H3