1-(4-methylphenyl)sulfonyl-5-oct-1-ynyl-indole

Systemtic Name: 1-(4-methylphenyl)sulfonyl-5-oct-1-ynyl-indole Openeye Name: 5-oct-1-ynyl-1-(p-tolylsulfonyl)indole CAS Name: 1-(4-methylphenyl)sulfonyl-5-oct-1-ynylindole IUPAC Name: 1-(4-methylphenyl)sulfonyl-5-oct-1-ynylindole Traditional Name: 5-oct-1-ynyl-1-tosyl-indole Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC2=C(C=C1)N(C=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCC#CC1=CC2=C(C=C1)N(C=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H25NO2S/c1-3-4-5-6-7-8-9-20-12-15-23-21(18-20)16-17-24(23)27(25,26)22-13-10-19(2)11-14-22/h10-18H,3-7H2,1-2H3