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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzoate CAS Name: 2-[[4-(3-chlorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 2-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H27ClN2O6S MolecularWeight: 506.99898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H27ClN2O6S/c1-24(2,3)21(28)16-33-23(30)20-10-5-4-9-19(20)22(29)26-11-13-27(14-12-26)34(31,32)18-8-6-7-17(25)15-18/h4-10,15H,11-14,16H2,1-3H3