1-(pyridin-4-ylmethyl)-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 1-(pyridin-4-ylmethyl)-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 1-(4-pyridylmethyl)-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 1-(pyridin-4-ylmethyl)-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 1-(pyridin-4-ylmethyl)-2-(2,4,6-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-mesitylsulfonyl-1-(4-pyridylmethyl)-3,4-dihydro-1H-isoquinoline Formula: C24H26N2O2S MolecularWeight: 406.54044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC3=CC=CC=C3C2CC4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC3=CC=CC=C3C2CC4=CC=NC=C4)C

InChI

InChI=1S/C24H26N2O2S/c1-17-14-18(2)24(19(3)15-17)29(27,28)26-13-10-21-6-4-5-7-22(21)23(26)16-20-8-11-25-12-9-20/h4-9,11-12,14-15,23H,10,13,16H2,1-3H3