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

Systemtic Name: phenyl 3-(2-hydroxyphenyl)-10-(phenylsulfonyl)-10-azaspiro[4.5]decane-6-sulfonate Openeye Name: phenyl 10-(benzenesulfonyl)-3-(2-hydroxyphenyl)-10-azaspiro[4.5]decane-6-sulfonate CAS Name: 10-(benzenesulfonyl)-3-(2-hydroxyphenyl)-10-azaspiro[4.5]decane-6-sulfonic acid phenyl ester IUPAC Name: phenyl 10-(benzenesulfonyl)-3-(2-hydroxyphenyl)-10-azaspiro[4.5]decane-6-sulfonate Traditional Name: 10-besyl-3-(2-hydroxyphenyl)-10-azaspiro[4.5]decane-6-sulfonic acid phenyl ester Formula: C27H29NO6S2 MolecularWeight: 527.65226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2(CCC(C2)C3=CC=CC=C3O)N(C1)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CC(C2(CCC(C2)C3=CC=CC=C3O)N(C1)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C27H29NO6S2/c29-25-15-8-7-14-24(25)21-17-18-27(20-21)26(36(32,33)34-22-10-3-1-4-11-22)16-9-19-28(27)35(30,31)23-12-5-2-6-13-23/h1-8,10-15,21,26,29H,9,16-20H2