(4-tert-butyl-2-methyl-phenyl) 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-cyanophenyl)sulfonyl-4-piperidinecarboxylic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 1-(2-cyanophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-cyanophenyl)sulfonylisonipecotic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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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=CC=C3C#N

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C24H28N2O4S/c1-17-15-20(24(2,3)4)9-10-21(17)30-23(27)18-11-13-26(14-12-18)31(28,29)22-8-6-5-7-19(22)16-25/h5-10,15,18H,11-14H2,1-4H3