(3,3-dimethyl-2-oxidanylidene-butyl) 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O5S/c1-24(2,3)22(27)18-31-23(28)20-10-7-11-21(16-20)32(29,30)26-14-12-25(13-15-26)17-19-8-5-4-6-9-19/h4-11,16H,12-15,17-18H2,1-3H3