[(5S,9S)-7-methyl-4-oxidanylidene-3-oxa-7-azaspiro[4.4]nonan-9-yl] 4-methylbenzenesulfonate

Systemtic Name: [(5S,9S)-7-methyl-4-oxidanylidene-3-oxa-7-azaspiro[4.4]nonan-9-yl] 4-methylbenzenesulfonate Openeye Name: [(5S,9S)-7-methyl-4-oxo-3-oxa-7-azaspiro[4.4]nonan-9-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(5S,9S)-7-methyl-4-oxo-3-oxa-7-azaspiro[4.4]nonan-9-yl] ester IUPAC Name: [(5S,9S)-7-methyl-4-oxo-3-oxa-7-azaspiro[4.4]nonan-9-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(5S,9S)-4-keto-7-methyl-3-oxa-7-azaspiro[4.4]nonan-9-yl] ester Formula: C15H19NO5S MolecularWeight: 325.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CN(CC23CCOC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CN(C[C@@]23CCOC3=O)C

InChI

InChI=1S/C15H19NO5S/c1-11-3-5-12(6-4-11)22(18,19)21-13-9-16(2)10-15(13)7-8-20-14(15)17/h3-6,13H,7-10H2,1-2H3/t13-,15+/m1/s1