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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CCCC2(N1S(=O)(=O)OC3=CC=CC=C3)CCCC(C2)CC4=CC=CC=C4

Isomeric SMILES

CSC1CCCC2(N1S(=O)(=O)OC3=CC=CC=C3)CCCC(C2)CC4=CC=CC=C4

InChI

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