3-[1-(4-methylphenyl)sulfonylhexyl]-1H-indole

Systemtic Name: 3-[1-(4-methylphenyl)sulfonylhexyl]-1H-indole Openeye Name: 3-[1-(p-tolylsulfonyl)hexyl]-1H-indole CAS Name: 3-[1-(4-methylphenyl)sulfonylhexyl]-1H-indole IUPAC Name: 3-[1-(4-methylphenyl)sulfonylhexyl]-1H-indole Traditional Name: 3-(1-tosylhexyl)-1H-indole Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CNC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCC(C1=CNC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25NO2S/c1-3-4-5-10-21(19-15-22-20-9-7-6-8-18(19)20)25(23,24)17-13-11-16(2)12-14-17/h6-9,11-15,21-22H,3-5,10H2,1-2H3