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

Systemtic Name: phenyl 10-(2-hydroxyphenyl)-4-(phenylmethyl)-11-azaspiro[5.5]undecane-11-sulfonate Openeye Name: phenyl 4-benzyl-10-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-11-sulfonate CAS Name: 10-(2-hydroxyphenyl)-4-(phenylmethyl)-11-azaspiro[5.5]undecane-11-sulfonic acid phenyl ester IUPAC Name: phenyl 4-benzyl-10-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-11-sulfonate Traditional Name: 4-benzyl-10-(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)C4=CC=CC=C4O)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CC2(C1)CCCC(N2S(=O)(=O)OC3=CC=CC=C3)C4=CC=CC=C4O)CC5=CC=CC=C5

InChI

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