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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pyridin-3-yl-benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-pyridyl)benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-pyridinyl)benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pyridin-3-ylbenzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-pyridyl)benzamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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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=CN=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4=CN=CC=C4

InChI

InChI=1S/C21H19N3O3S/c25-21(23-19-8-4-11-22-14-19)17-7-3-9-20(13-17)28(26,27)24-12-10-16-5-1-2-6-18(16)15-24/h1-9,11,13-14H,10,12,15H2,(H,23,25)