phenyl 4-iodanyl-11-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonate

Systemtic Name: phenyl 4-iodanyl-11-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonate Openeye Name: phenyl 4-iodo-11-isopropylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonate CAS Name: 4-iodo-11-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester IUPAC Name: phenyl 4-iodo-11-propan-2-ylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonate Traditional Name: 4-iodo-11-isopropylsulfonyl-11-azaspiro[5.5]undecane-10-sulfonic acid phenyl ester Formula: C19H28INO5S2 MolecularWeight: 541.46379

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C(CCCC12CCCC(C2)I)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)N1C(CCCC12CCCC(C2)I)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C19H28INO5S2/c1-15(2)27(22,23)21-18(28(24,25)26-17-9-4-3-5-10-17)11-7-13-19(21)12-6-8-16(20)14-19/h3-5,9-10,15-16,18H,6-8,11-14H2,1-2H3