tert-butyl 4-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(4-tert-butylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-tert-butylphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-tert-butylphenyl)sulfonylisonipecotoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H39N3O5S MolecularWeight: 493.65926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H39N3O5S/c1-24(2,3)20-7-9-21(10-8-20)34(31,32)28-13-11-19(12-14-28)22(29)26-15-17-27(18-16-26)23(30)33-25(4,5)6/h7-10,19H,11-18H2,1-6H3