phenyl 11-(2-hydroxyphenyl)-4-(phenylsulfonyl)-11-azaspiro[5.5]undecane-10-sulfonate

Systemtic Name: phenyl 11-(2-hydroxyphenyl)-4-(phenylsulfonyl)-11-azaspiro[5.5]undecane-10-sulfonate Openeye Name: phenyl 4-(benzenesulfonyl)-11-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-10-sulfonate CAS Name: 4-(benzenesulfonyl)-11-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester IUPAC Name: phenyl 4-(benzenesulfonyl)-11-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-10-sulfonate Traditional Name: 4-besyl-11-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester Formula: C28H31NO6S2 MolecularWeight: 541.67884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2(C1)CCCC(N2C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC(CC2(C1)CCCC(N2C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H31NO6S2/c30-26-17-8-7-16-25(26)29-27(37(33,34)35-22-11-3-1-4-12-22)18-10-20-28(29)19-9-15-24(21-28)36(31,32)23-13-5-2-6-14-23/h1-8,11-14,16-17,24,27,30H,9-10,15,18-21H2