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

Systemtic Name: phenyl 11-(phenylmethyl)-4-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonate Openeye Name: phenyl 11-benzyl-4-isopropylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonate CAS Name: 11-(phenylmethyl)-4-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester IUPAC Name: phenyl 11-benzyl-4-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonate Traditional Name: 11-benzyl-4-isopropylsulfonyl-11-azaspiro[5.5]undecane-10-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(N2CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1CCCC2(C1)CCCC(N2CC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

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