2-chloranyl-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-fluoranyl-benzamide

Systemtic Name: 2-chloranyl-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-fluoranyl-benzamide Openeye Name: 2-chloro-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-fluoro-benzamide CAS Name: 2-chloro-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-fluorobenzamide IUPAC Name: 2-chloro-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-fluorobenzamide Traditional Name: 2-chloro-N-(2-esyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-fluoro-benzamide Formula: C18H18ClFN2O3S MolecularWeight: 396.863523

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H18ClFN2O3S/c1-2-26(24,25)22-8-7-12-3-5-15(9-13(12)11-22)21-18(23)16-6-4-14(20)10-17(16)19/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,23)