O1-tert-butyl O3-(phenylmethyl) 4-(4-methylphenyl)sulfonylpiperazine-1,3-dicarboxylate

Systemtic Name: O1-tert-butyl O3-(phenylmethyl) 4-(4-methylphenyl)sulfonylpiperazine-1,3-dicarboxylate Openeye Name: O3-benzyl O1-tert-butyl 4-(p-tolylsulfonyl)piperazine-1,3-dicarboxylate CAS Name: 4-(4-methylphenyl)sulfonylpiperazine-1,3-dicarboxylic acid O1-tert-butyl ester O3-(phenylmethyl) ester IUPAC Name: 3-O-benzyl 1-O-tert-butyl 4-(4-methylphenyl)sulfonylpiperazine-1,3-dicarboxylate Traditional Name: 4-tosylpiperazine-1,3-dicarboxylic acid O3-benzyl ester O1-tert-butyl ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H30N2O6S/c1-18-10-12-20(13-11-18)33(29,30)26-15-14-25(23(28)32-24(2,3)4)16-21(26)22(27)31-17-19-8-6-5-7-9-19/h5-13,21H,14-17H2,1-4H3