5-dodec-1-ynyl-1-(4-methylphenyl)sulfonyl-indole-3-carbaldehyde

Systemtic Name: 5-dodec-1-ynyl-1-(4-methylphenyl)sulfonyl-indole-3-carbaldehyde Openeye Name: 5-dodec-1-ynyl-1-(p-tolylsulfonyl)indole-3-carbaldehyde CAS Name: 5-dodec-1-ynyl-1-(4-methylphenyl)sulfonyl-3-indolecarboxaldehyde IUPAC Name: 5-dodec-1-ynyl-1-(4-methylphenyl)sulfonylindole-3-carbaldehyde Traditional Name: 5-dodec-1-ynyl-1-tosyl-indole-3-carbaldehyde Formula: C28H33NO3S MolecularWeight: 463.63152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC1=CC2=C(C=C1)N(C=C2C=O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCCCC#CC1=CC2=C(C=C1)N(C=C2C=O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H33NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-24-16-19-28-27(20-24)25(22-30)21-29(28)33(31,32)26-17-14-23(2)15-18-26/h14-22H,3-11H2,1-2H3