phenyl 9-(2-hydroxyphenyl)-3-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonate

Systemtic Name: phenyl 9-(2-hydroxyphenyl)-3-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonate Openeye Name: phenyl 9-(2-hydroxyphenyl)-3-isopropylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonate CAS Name: 9-(2-hydroxyphenyl)-3-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester IUPAC Name: phenyl 9-(2-hydroxyphenyl)-3-propan-2-ylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonate Traditional Name: 9-(2-hydroxyphenyl)-3-isopropylsulfonyl-9-azaspiro[4.4]nonane-7-sulfonic acid phenyl ester Formula: C23H29NO6S2 MolecularWeight: 479.60946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CCC2(C1)CC(CN2C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1CCC2(C1)CC(CN2C3=CC=CC=C3O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H29NO6S2/c1-17(2)31(26,27)19-12-13-23(14-19)15-20(16-24(23)21-10-6-7-11-22(21)25)32(28,29)30-18-8-4-3-5-9-18/h3-11,17,19-20,25H,12-16H2,1-2H3