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

Systemtic Name: phenyl 10-(phenylmethyl)-4-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-11-sulfonate Openeye Name: phenyl 10-benzyl-4-isopropylsulfonyl-11-azaspiro[5.5]undecane-11-sulfonate CAS Name: 10-(phenylmethyl)-4-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-11-sulfonic acid phenyl ester IUPAC Name: phenyl 10-benzyl-4-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-11-sulfonate Traditional Name: 10-benzyl-4-isopropylsulfonyl-11-azaspiro[5.5]undecane-11-sulfonic acid phenyl ester Formula: C26H35NO5S2 MolecularWeight: 505.6898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CCCC2(C1)CCCC(N2S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1CCCC2(C1)CCCC(N2S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H35NO5S2/c1-21(2)33(28,29)25-16-10-18-26(20-25)17-9-13-23(19-22-11-5-3-6-12-22)27(26)34(30,31)32-24-14-7-4-8-15-24/h3-8,11-12,14-15,21,23,25H,9-10,13,16-20H2,1-2H3