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

Systemtic Name: phenyl 11-(2-hydroxyphenyl)-4-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonate Openeye Name: phenyl 11-(2-hydroxyphenyl)-4-isopropylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonate CAS Name: 11-(2-hydroxyphenyl)-4-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester IUPAC Name: phenyl 11-(2-hydroxyphenyl)-4-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonate Traditional Name: 11-(2-hydroxyphenyl)-4-isopropylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester Formula: C25H33NO6S2 MolecularWeight: 507.66262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CCCC2(C1)CCCC(N2C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1CCCC2(C1)CCCC(N2C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H33NO6S2/c1-19(2)33(28,29)21-12-8-16-25(18-21)17-9-15-24(26(25)22-13-6-7-14-23(22)27)34(30,31)32-20-10-4-3-5-11-20/h3-7,10-11,13-14,19,21,24,27H,8-9,12,15-18H2,1-2H3