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

Systemtic Name: phenyl 11-(phenylmethyl)-10-(phenylsulfonyl)-11-azaspiro[5.5]undecane-4-sulfonate Openeye Name: phenyl 10-(benzenesulfonyl)-11-benzyl-11-azaspiro[5.5]undecane-4-sulfonate CAS Name: 10-(benzenesulfonyl)-11-(phenylmethyl)-11-azaspiro[5.5]undecane-4-sulfonic acid phenyl ester IUPAC Name: phenyl 10-(benzenesulfonyl)-11-benzyl-11-azaspiro[5.5]undecane-4-sulfonate Traditional Name: 11-benzyl-10-besyl-11-azaspiro[5.5]undecane-4-sulfonic acid phenyl ester Formula: C29H33NO5S2 MolecularWeight: 539.70602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC2(C1)CCCC(N2CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CC(CC2(C1)CCCC(N2CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C29H33NO5S2/c31-36(32,26-16-8-3-9-17-26)28-19-11-21-29(30(28)23-24-12-4-1-5-13-24)20-10-18-27(22-29)37(33,34)35-25-14-6-2-7-15-25/h1-9,12-17,27-28H,10-11,18-23H2