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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1CCCC2(C1)CCCC(N2CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1CCCC2(C1)CCCC(N2CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

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