3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pyrimidin-2-yl-benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pyrimidin-2-yl-benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pyrimidin-2-yl-benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-pyrimidinyl)benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pyrimidin-2-ylbenzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-pyrimidyl)benzamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=NC=CC=N4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=NC=CC=N4

InChI

InChI=1S/C20H18N4O3S/c25-19(23-20-21-10-4-11-22-20)16-7-3-8-18(13-16)28(26,27)24-12-9-15-5-1-2-6-17(15)14-24/h1-8,10-11,13H,9,12,14H2,(H,21,22,23,25)