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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2(C1)CCCC(N2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)C5=CC=CC=C5O

Isomeric SMILES

C1CC(CC2(C1)CCCC(N2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)C5=CC=CC=C5O

InChI

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