4-(2,2-dimethylpropyl)-2-(4-methylphenyl)sulfonyl-1H-isoquinoline

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C(=C2)CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C(=C2)CC(C)(C)C

InChI

InChI=1S/C21H25NO2S/c1-16-9-11-19(12-10-16)25(23,24)22-14-17-7-5-6-8-20(17)18(15-22)13-21(2,3)4/h5-12,15H,13-14H2,1-4H3