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

Systemtic Name: phenyl 10-(phenylmethyl)-11-(phenylsulfonyl)-11-azaspiro[5.5]undecane-4-sulfonate Openeye Name: phenyl 11-(benzenesulfonyl)-10-benzyl-11-azaspiro[5.5]undecane-4-sulfonate CAS Name: 11-(benzenesulfonyl)-10-(phenylmethyl)-11-azaspiro[5.5]undecane-4-sulfonic acid phenyl ester IUPAC Name: phenyl 11-(benzenesulfonyl)-10-benzyl-11-azaspiro[5.5]undecane-4-sulfonate Traditional Name: 10-benzyl-11-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(N2S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CC(CC2(C1)CCCC(N2S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

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