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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2(C1)CCCC(N2S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5O

Isomeric SMILES

C1CC(CC2(C1)CCCC(N2S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5O

InChI

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