(3,3-dimethyl-2-oxidanylidene-butyl) 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H26N2O6S MolecularWeight: 410.48454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C19H26N2O6S/c1-14(22)20-8-10-21(11-9-20)28(25,26)16-7-5-6-15(12-16)18(24)27-13-17(23)19(2,3)4/h5-7,12H,8-11,13H2,1-4H3