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

Systemtic Name: 2-methyl-3-[1-(4-methylphenyl)sulfonylhexyl]-1H-indole Openeye Name: 2-methyl-3-[1-(p-tolylsulfonyl)hexyl]-1H-indole CAS Name: 2-methyl-3-[1-(4-methylphenyl)sulfonylhexyl]-1H-indole IUPAC Name: 2-methyl-3-[1-(4-methylphenyl)sulfonylhexyl]-1H-indole Traditional Name: 2-methyl-3-(1-tosylhexyl)-1H-indole Formula: C22H27NO2S MolecularWeight: 369.52028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=C(NC2=CC=CC=C21)C)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCC(C1=C(NC2=CC=CC=C21)C)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H27NO2S/c1-4-5-6-11-21(26(24,25)18-14-12-16(2)13-15-18)22-17(3)23-20-10-8-7-9-19(20)22/h7-10,12-15,21,23H,4-6,11H2,1-3H3