[(5S,6R,9R)-4-oxidanylidene-6,8-diphenyl-3-oxa-7-azaspiro[4.4]non-7-en-9-yl] 4-methylbenzenesulfonate

Systemtic Name: [(5S,6R,9R)-4-oxidanylidene-6,8-diphenyl-3-oxa-7-azaspiro[4.4]non-7-en-9-yl] 4-methylbenzenesulfonate Openeye Name: [(5S,6R,9R)-4-oxo-6,8-diphenyl-3-oxa-7-azaspiro[4.4]non-7-en-9-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(5S,6R,9R)-4-oxo-6,8-diphenyl-3-oxa-7-azaspiro[4.4]non-7-en-9-yl] ester IUPAC Name: [(5S,6R,9R)-4-oxo-6,8-diphenyl-3-oxa-7-azaspiro[4.4]non-7-en-9-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(5S,6R,9R)-4-keto-6,8-diphenyl-3-oxa-7-azaspiro[4.4]non-7-en-9-yl] ester Formula: C26H23NO5S MolecularWeight: 461.52952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C(=NC(C23CCOC3=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2C(=N[C@@H]([C@@]23CCOC3=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H23NO5S/c1-18-12-14-21(15-13-18)33(29,30)32-24-22(19-8-4-2-5-9-19)27-23(20-10-6-3-7-11-20)26(24)16-17-31-25(26)28/h2-15,23-24H,16-17H2,1H3/t23-,24+,26+/m1/s1