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

Systemtic Name: phenyl 11-(2-hydroxyphenyl)-4-(phenylmethyl)-11-azaspiro[5.5]undecane-10-sulfonate Openeye Name: phenyl 4-benzyl-11-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-10-sulfonate CAS Name: 11-(2-hydroxyphenyl)-4-(phenylmethyl)-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester IUPAC Name: phenyl 4-benzyl-11-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-10-sulfonate Traditional Name: 4-benzyl-11-(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(N2C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CC2(C1)CCCC(N2C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5

InChI

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