4-[3-(1-adamantylsulfanylmethyl)phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-(1-adamantylsulfanylmethyl)phenyl]sulfonylmorpholine Openeye Name: 4-[3-(1-adamantylsulfanylmethyl)phenyl]sulfonylmorpholine CAS Name: 4-[3-[(1-adamantylthio)methyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-(1-adamantylsulfanylmethyl)phenyl]sulfonylmorpholine Traditional Name: 4-[3-[(1-adamantylthio)methyl]phenyl]sulfonylmorpholine Formula: C21H29NO3S2 MolecularWeight: 407.58986

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H29NO3S2/c23-27(24,22-4-6-25-7-5-22)20-3-1-2-16(11-20)15-26-21-12-17-8-18(13-21)10-19(9-17)14-21/h1-3,11,17-19H,4-10,12-15H2