2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pyridin-4-yl-benzamide

Systemtic Name: 2-chloranyl-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pyridin-4-yl-benzamide Openeye Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-pyridyl)benzamide CAS Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pyridin-4-ylbenzamide IUPAC Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-pyridin-4-ylbenzamide Traditional Name: 2-chloro-5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-pyridyl)benzamide Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3S/c22-20-6-5-18(13-19(20)21(26)24-17-7-10-23-11-8-17)29(27,28)25-12-9-15-3-1-2-4-16(15)14-25/h1-8,10-11,13H,9,12,14H2,(H,23,24,26)