(2R)-1-(1-adamantyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)propan-1-one

Systemtic Name: (2R)-1-(1-adamantyl)-2-(4-morpholin-4-ylsulfonyl-2-nitro-phenoxy)propan-1-one Openeye Name: (2R)-1-(1-adamantyl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)propan-1-one CAS Name: (2R)-1-(1-adamantyl)-2-[4-(4-morpholinylsulfonyl)-2-nitrophenoxy]-1-propanone IUPAC Name: (2R)-1-(1-adamantyl)-2-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)propan-1-one Traditional Name: (2R)-1-(1-adamantyl)-2-(4-morpholinosulfonyl-2-nitro-phenoxy)propan-1-one Formula: C23H30N2O7S MolecularWeight: 478.5585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)OC4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C23H30N2O7S/c1-15(22(26)23-12-16-8-17(13-23)10-18(9-16)14-23)32-21-3-2-19(11-20(21)25(27)28)33(29,30)24-4-6-31-7-5-24/h2-3,11,15-18H,4-10,12-14H2,1H3/t15-,16?,17?,18?,23?/m1/s1