phenyl 10-(2-hydroxyphenyl)-6-(phenylmethyl)-10-azaspiro[4.5]decane-3-sulfonate

Systemtic Name: phenyl 10-(2-hydroxyphenyl)-6-(phenylmethyl)-10-azaspiro[4.5]decane-3-sulfonate Openeye Name: phenyl 6-benzyl-10-(2-hydroxyphenyl)-10-azaspiro[4.5]decane-3-sulfonate CAS Name: 10-(2-hydroxyphenyl)-6-(phenylmethyl)-10-azaspiro[4.5]decane-3-sulfonic acid phenyl ester IUPAC Name: phenyl 6-benzyl-10-(2-hydroxyphenyl)-10-azaspiro[4.5]decane-3-sulfonate Traditional Name: 6-benzyl-10-(2-hydroxyphenyl)-10-azaspiro[4.5]decane-3-sulfonic acid phenyl ester Formula: C28H31NO4S MolecularWeight: 477.61504

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2(CCC(C2)S(=O)(=O)OC3=CC=CC=C3)N(C1)C4=CC=CC=C4O)CC5=CC=CC=C5

Isomeric SMILES

C1CC(C2(CCC(C2)S(=O)(=O)OC3=CC=CC=C3)N(C1)C4=CC=CC=C4O)CC5=CC=CC=C5

InChI

InChI=1S/C28H31NO4S/c30-27-16-8-7-15-26(27)29-19-9-12-23(20-22-10-3-1-4-11-22)28(29)18-17-25(21-28)34(31,32)33-24-13-5-2-6-14-24/h1-8,10-11,13-16,23,25,30H,9,12,17-21H2