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

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C21H27NO4S2 MolecularWeight: 421.57338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H27NO4S2/c1-15-14-17(21(2,3)4)7-8-18(15)26-20(23)16-9-11-22(12-10-16)28(24,25)19-6-5-13-27-19/h5-8,13-14,16H,9-12H2,1-4H3