2-(1-azidoheptyl)-1-(4-methylphenyl)sulfonyl-3-(2-phenylethynyl)pyrrole

Systemtic Name: 2-(1-azidoheptyl)-1-(4-methylphenyl)sulfonyl-3-(2-phenylethynyl)pyrrole Openeye Name: 2-(1-azidoheptyl)-3-(2-phenylethynyl)-1-(p-tolylsulfonyl)pyrrole CAS Name: 2-(1-azidoheptyl)-1-(4-methylphenyl)sulfonyl-3-(2-phenylethynyl)pyrrole IUPAC Name: 2-(1-azidoheptyl)-1-(4-methylphenyl)sulfonyl-3-(2-phenylethynyl)pyrrole Traditional Name: 2-(1-azidoheptyl)-3-(2-phenylethynyl)-1-tosyl-pyrrole Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=C(C=CN1S(=O)(=O)C2=CC=C(C=C2)C)C#CC3=CC=CC=C3)N=[N+]=[N-]

Isomeric SMILES

CCCCCCC(C1=C(C=CN1S(=O)(=O)C2=CC=C(C=C2)C)C#CC3=CC=CC=C3)N=[N+]=[N-]

InChI

InChI=1S/C26H28N4O2S/c1-3-4-5-9-12-25(28-29-27)26-23(16-15-22-10-7-6-8-11-22)19-20-30(26)33(31,32)24-17-13-21(2)14-18-24/h6-8,10-11,13-14,17-20,25H,3-5,9,12H2,1-2H3