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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSN1CCCC(C12CCC(C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

CSN1CCCC(C12CCC(C2)S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O

InChI

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