tert-butyl 4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H39N3O5S MolecularWeight: 493.65926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)C)C

InChI

InChI=1S/C25H39N3O5S/c1-17-16-18(2)20(4)22(19(17)3)34(31,32)28-10-8-21(9-11-28)23(29)26-12-14-27(15-13-26)24(30)33-25(5,6)7/h16,21H,8-15H2,1-7H3