(1R,4E)-8-butyl-11-(4-methylphenyl)sulfonyl-11-azabicyclo[7.2.1]dodec-4-en-9-ol

Systemtic Name: (1R,4E)-8-butyl-11-(4-methylphenyl)sulfonyl-11-azabicyclo[7.2.1]dodec-4-en-9-ol Openeye Name: (1R,4E)-8-butyl-11-(p-tolylsulfonyl)-11-azabicyclo[7.2.1]dodec-4-en-9-ol CAS Name: (1R,4E)-8-butyl-11-(4-methylphenyl)sulfonyl-11-azabicyclo[7.2.1]dodec-4-en-9-ol IUPAC Name: (1R,4E)-8-butyl-11-(4-methylphenyl)sulfonyl-11-azabicyclo[7.2.1]dodec-4-en-9-ol Traditional Name: (1R,4E)-8-butyl-11-tosyl-11-azabicyclo[7.2.1]dodec-4-en-9-ol Formula: C22H33NO3S MolecularWeight: 391.56732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC=CCCC2CC1(CN2S(=O)(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

CCCCC1CC/C=C/CC[C@@H]2CC1(CN2S(=O)(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C22H33NO3S/c1-3-4-9-19-10-7-5-6-8-11-20-16-22(19,24)17-23(20)27(25,26)21-14-12-18(2)13-15-21/h5-6,12-15,19-20,24H,3-4,7-11,16-17H2,1-2H3/b6-5+/t19?,20-,22?/m1/s1