(3,3-dimethyl-2-oxidanylidene-butyl) 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]benzoate CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 2-(4-tosylpiperazine-1-carbonyl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H30N2O6S MolecularWeight: 486.5805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C25H30N2O6S/c1-18-9-11-19(12-10-18)34(31,32)27-15-13-26(14-16-27)23(29)20-7-5-6-8-21(20)24(30)33-17-22(28)25(2,3)4/h5-12H,13-17H2,1-4H3