phenyl 10-(2-hydroxyphenyl)-3-methylsulfanyl-10-azaspiro[4.5]decane-6-sulfonate

Systemtic Name: phenyl 10-(2-hydroxyphenyl)-3-methylsulfanyl-10-azaspiro[4.5]decane-6-sulfonate Openeye Name: phenyl 10-(2-hydroxyphenyl)-3-methylsulfanyl-10-azaspiro[4.5]decane-6-sulfonate CAS Name: 10-(2-hydroxyphenyl)-3-(methylthio)-10-azaspiro[4.5]decane-6-sulfonic acid phenyl ester IUPAC Name: phenyl 10-(2-hydroxyphenyl)-3-methylsulfanyl-10-azaspiro[4.5]decane-6-sulfonate Traditional Name: 10-(2-hydroxyphenyl)-3-(methylthio)-10-azaspiro[4.5]decane-6-sulfonic acid phenyl ester Formula: C22H27NO4S2 MolecularWeight: 433.58408

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CCC2(C1)C(CCCN2C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1CCC2(C1)C(CCCN2C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H27NO4S2/c1-28-18-13-14-22(16-18)21(29(25,26)27-17-8-3-2-4-9-17)12-7-15-23(22)19-10-5-6-11-20(19)24/h2-6,8-11,18,21,24H,7,12-16H2,1H3