2-(4-methylphenyl)sulfonyl-4-pentyl-1H-isoquinoline

Systemtic Name: 2-(4-methylphenyl)sulfonyl-4-pentyl-1H-isoquinoline Openeye Name: 4-pentyl-2-(p-tolylsulfonyl)-1H-isoquinoline CAS Name: 2-(4-methylphenyl)sulfonyl-4-pentyl-1H-isoquinoline IUPAC Name: 2-(4-methylphenyl)sulfonyl-4-pentyl-1H-isoquinoline Traditional Name: 4-amyl-2-tosyl-1H-isoquinoline Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCC1=CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C

InChI

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