phenyl 10-methylsulfanyl-11-(phenylmethyl)-11-azaspiro[5.5]undecane-4-sulfonate

Systemtic Name: phenyl 10-methylsulfanyl-11-(phenylmethyl)-11-azaspiro[5.5]undecane-4-sulfonate Openeye Name: phenyl 11-benzyl-10-methylsulfanyl-11-azaspiro[5.5]undecane-4-sulfonate CAS Name: 10-(methylthio)-11-(phenylmethyl)-11-azaspiro[5.5]undecane-4-sulfonic acid phenyl ester IUPAC Name: phenyl 11-benzyl-10-methylsulfanyl-11-azaspiro[5.5]undecane-4-sulfonate Traditional Name: 11-benzyl-10-(methylthio)-11-azaspiro[5.5]undecane-4-sulfonic acid phenyl ester Formula: C24H31NO3S2 MolecularWeight: 445.63784

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CCCC2(N1CC3=CC=CC=C3)CCCC(C2)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1CCCC2(N1CC3=CC=CC=C3)CCCC(C2)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H31NO3S2/c1-29-23-15-9-17-24(25(23)19-20-10-4-2-5-11-20)16-8-14-22(18-24)30(26,27)28-21-12-6-3-7-13-21/h2-7,10-13,22-23H,8-9,14-19H2,1H3