tert-butyl 4-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(4-methylphenyl)sulfonylmethyl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(p-tolylsulfonylmethyl)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-methylphenyl)sulfonylmethyl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(tosylmethyl)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H30N2O5S/c1-18-5-11-21(12-6-18)32(29,30)17-19-7-9-20(10-8-19)22(27)25-13-15-26(16-14-25)23(28)31-24(2,3)4/h5-12H,13-17H2,1-4H3