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

Systemtic Name: phenyl 10-(2-hydroxyphenyl)-11-(phenylmethyl)-11-azaspiro[5.5]undecane-4-sulfonate Openeye Name: phenyl 11-benzyl-10-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-4-sulfonate CAS Name: 10-(2-hydroxyphenyl)-11-(phenylmethyl)-11-azaspiro[5.5]undecane-4-sulfonic acid phenyl ester IUPAC Name: phenyl 11-benzyl-10-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-4-sulfonate Traditional Name: 11-benzyl-10-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-4-sulfonic acid phenyl ester Formula: C29H33NO4S MolecularWeight: 491.64162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2(C1)CCCC(N2CC3=CC=CC=C3)C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CC(CC2(C1)CCCC(N2CC3=CC=CC=C3)C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C29H33NO4S/c31-28-18-8-7-16-26(28)27-17-10-20-29(30(27)22-23-11-3-1-4-12-23)19-9-15-25(21-29)35(32,33)34-24-13-5-2-6-14-24/h1-8,11-14,16,18,25,27,31H,9-10,15,17,19-22H2