5-dodec-1-ynyl-2-(4-methylphenyl)sulfonyl-1H-indole-3-carbaldehyde

Systemtic Name: 5-dodec-1-ynyl-2-(4-methylphenyl)sulfonyl-1H-indole-3-carbaldehyde Openeye Name: 5-dodec-1-ynyl-2-(p-tolylsulfonyl)-1H-indole-3-carbaldehyde CAS Name: 5-dodec-1-ynyl-2-(4-methylphenyl)sulfonyl-1H-indole-3-carboxaldehyde IUPAC Name: 5-dodec-1-ynyl-2-(4-methylphenyl)sulfonyl-1H-indole-3-carbaldehyde Traditional Name: 5-dodec-1-ynyl-2-tosyl-1H-indole-3-carbaldehyde Formula: C28H33NO3S MolecularWeight: 463.63152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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