(3,5-dimethylphenyl) 2-[6,8-bis(oxidanylidene)-7,9-diazaspiro[4.4]nonan-7-yl]ethanesulfonate

Systemtic Name: (3,5-dimethylphenyl) 2-[6,8-bis(oxidanylidene)-7,9-diazaspiro[4.4]nonan-7-yl]ethanesulfonate Openeye Name: (3,5-dimethylphenyl) 2-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)ethanesulfonate CAS Name: 2-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)ethanesulfonic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 2-(6,8-dioxo-7,9-diazaspiro[4.4]nonan-7-yl)ethanesulfonate Traditional Name: 2-(6,8-diketo-7,9-diazaspiro[4.4]nonan-7-yl)ethanesulfonic acid (3,5-dimethylphenyl) ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)CCN2C(=O)C3(CCCC3)NC2=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)CCN2C(=O)C3(CCCC3)NC2=O)C

InChI

InChI=1S/C17H22N2O5S/c1-12-9-13(2)11-14(10-12)24-25(22,23)8-7-19-15(20)17(18-16(19)21)5-3-4-6-17/h9-11H,3-8H2,1-2H3,(H,18,21)