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

Systemtic Name: phenyl 11-(2-hydroxyphenyl)-10-(phenylmethyl)-11-azaspiro[5.5]undecane-4-sulfonate Openeye Name: phenyl 10-benzyl-11-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-4-sulfonate CAS Name: 11-(2-hydroxyphenyl)-10-(phenylmethyl)-11-azaspiro[5.5]undecane-4-sulfonic acid phenyl ester IUPAC Name: phenyl 10-benzyl-11-(2-hydroxyphenyl)-11-azaspiro[5.5]undecane-4-sulfonate Traditional Name: 10-benzyl-11-(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(N2C3=CC=CC=C3O)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CC(CC2(C1)CCCC(N2C3=CC=CC=C3O)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

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