phenyl 11-ethoxy-4-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonate

Systemtic Name: phenyl 11-ethoxy-4-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonate Openeye Name: phenyl 11-ethoxy-4-isopropylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonate CAS Name: 11-ethoxy-4-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester IUPAC Name: phenyl 11-ethoxy-4-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonate Traditional Name: 11-ethoxy-4-isopropylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester Formula: C21H33NO6S2 MolecularWeight: 459.61982

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Descriptors Computed from Structure

Canonical SMILES:

CCON1C(CCCC12CCCC(C2)S(=O)(=O)C(C)C)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCON1C(CCCC12CCCC(C2)S(=O)(=O)C(C)C)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H33NO6S2/c1-4-27-22-20(30(25,26)28-18-10-6-5-7-11-18)13-9-15-21(22)14-8-12-19(16-21)29(23,24)17(2)3/h5-7,10-11,17,19-20H,4,8-9,12-16H2,1-3H3