[(5R)-2-methylspiro[1,2-oxazolidine-3,2'-adamantane]-5-yl]methyl 4-nitrobenzenesulfonate

Systemtic Name: [(5R)-2-methylspiro[1,2-oxazolidine-3,2'-adamantane]-5-yl]methyl 4-nitrobenzenesulfonate Openeye Name: [(5'R)-2'-methylspiro[adamantane-2,3'-isoxazolidine]-5'-yl]methyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(5'R)-2'-methyl-5'-spiro[adamantane-2,3'-isoxazolidine]yl]methyl ester IUPAC Name: [(5R)-2-methylspiro[1,2-oxazolidine-3,2'-adamantane]-5-yl]methyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(5'R)-2'-methylspiro[adamantane-2,3'-isoxazolidine]-5'-yl]methyl ester Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2(CC(O1)COS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CC5CC(C4)CC2C5

Isomeric SMILES

CN1C2(C[C@@H](O1)COS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4CC5CC(C4)CC2C5

InChI

InChI=1S/C20H26N2O6S/c1-21-20(15-7-13-6-14(9-15)10-16(20)8-13)11-18(28-21)12-27-29(25,26)19-4-2-17(3-5-19)22(23)24/h2-5,13-16,18H,6-12H2,1H3/t13?,14?,15?,16?,18-,20?/m1/s1