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

Systemtic Name: phenyl 4-(2-hydroxyphenyl)-11-(phenylmethyl)-11-azaspiro[5.5]undecane-10-sulfonate Openeye Name: phenyl 11-benzyl-4-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-10-sulfonate CAS Name: 4-(2-hydroxyphenyl)-11-(phenylmethyl)-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester IUPAC Name: phenyl 11-benzyl-4-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-10-sulfonate Traditional Name: 11-benzyl-4-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-10-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)S(=O)(=O)OC4=CC=CC=C4)C5=CC=CC=C5O

Isomeric SMILES

C1CC(CC2(C1)CCCC(N2CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4)C5=CC=CC=C5O

InChI

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