tert-butyl 4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboperoxoate

Systemtic Name: tert-butyl 4-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylpiperazine-1-carboperoxoate Openeye Name: tert-butyl 4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboperoxoate CAS Name: 4-[[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]-1-piperazinecarboperoxoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboperoxoate Traditional Name: 4-[1-(4-chlorophenyl)sulfonylisonipecotoyl]piperazine-1-carboperoxoic acid tert-butyl ester Formula: C21H30ClN3O6S MolecularWeight: 487.9974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H30ClN3O6S/c1-21(2,3)31-30-20(27)24-14-12-23(13-15-24)19(26)16-8-10-25(11-9-16)32(28,29)18-6-4-17(22)5-7-18/h4-7,16H,8-15H2,1-3H3