2-(phenylsulfonyl)-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(phenylsulfonyl)-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(benzenesulfonyl)-1-(4-pyridylmethyl)-3,4-dihydro-1H-isoquinoline CAS Name: 2-(benzenesulfonyl)-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(benzenesulfonyl)-1-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline Traditional Name: 2-besyl-1-(4-pyridylmethyl)-3,4-dihydro-1H-isoquinoline Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC3=CC=NC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O2S/c24-26(25,19-7-2-1-3-8-19)23-15-12-18-6-4-5-9-20(18)21(23)16-17-10-13-22-14-11-17/h1-11,13-14,21H,12,15-16H2