phenyl 10-ethoxy-11-methylsulfanyl-11-azaspiro[5.5]undecane-4-sulfonate

Systemtic Name: phenyl 10-ethoxy-11-methylsulfanyl-11-azaspiro[5.5]undecane-4-sulfonate Openeye Name: phenyl 10-ethoxy-11-methylsulfanyl-11-azaspiro[5.5]undecane-4-sulfonate CAS Name: 10-ethoxy-11-(methylthio)-11-azaspiro[5.5]undecane-4-sulfonic acid phenyl ester IUPAC Name: phenyl 10-ethoxy-11-methylsulfanyl-11-azaspiro[5.5]undecane-4-sulfonate Traditional Name: 10-ethoxy-11-(methylthio)-11-azaspiro[5.5]undecane-4-sulfonic acid phenyl ester Formula: C19H29NO4S2 MolecularWeight: 399.56786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCCC2(N1SC)CCCC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC1CCCC2(N1SC)CCCC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H29NO4S2/c1-3-23-18-12-8-14-19(20(18)25-2)13-7-11-17(15-19)26(21,22)24-16-9-5-4-6-10-16/h4-6,9-10,17-18H,3,7-8,11-15H2,1-2H3