4-[4-[2-(1-adamantyl)ethylsulfanyl]-3-nitro-phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[2-(1-adamantyl)ethylsulfanyl]-3-nitro-phenyl]sulfonylmorpholine Openeye Name: 4-[4-[2-(1-adamantyl)ethylsulfanyl]-3-nitro-phenyl]sulfonylmorpholine CAS Name: 4-[4-[2-(1-adamantyl)ethylthio]-3-nitrophenyl]sulfonylmorpholine IUPAC Name: 4-[4-[2-(1-adamantyl)ethylsulfanyl]-3-nitrophenyl]sulfonylmorpholine Traditional Name: 4-[4-[2-(1-adamantyl)ethylthio]-3-nitro-phenyl]sulfonylmorpholine Formula: C22H30N2O5S2 MolecularWeight: 466.614

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SCCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)SCCC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C22H30N2O5S2/c25-24(26)20-12-19(31(27,28)23-4-6-29-7-5-23)1-2-21(20)30-8-3-22-13-16-9-17(14-22)11-18(10-16)15-22/h1-2,12,16-18H,3-11,13-15H2