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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCCC2(C1)CCCC(N2SC)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC1CCCC2(C1)CCCC(N2SC)S(=O)(=O)OC3=CC=CC=C3

InChI

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