5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-ethyl-6-methyl-phenyl)-2-fluoranyl-benzamide

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-ethyl-6-methyl-phenyl)-2-fluoranyl-benzamide Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-ethyl-6-methyl-phenyl)-2-fluoro-benzamide CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-ethyl-6-methylphenyl)-2-fluorobenzamide Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-ethyl-6-methyl-phenyl)-2-fluoro-benzamide Formula: C25H25FN2O3S MolecularWeight: 452.541003

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)F)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)F)C

InChI

InChI=1S/C25H25FN2O3S/c1-3-18-10-6-7-17(2)24(18)27-25(29)22-15-21(11-12-23(22)26)32(30,31)28-14-13-19-8-4-5-9-20(19)16-28/h4-12,15H,3,13-14,16H2,1-2H3,(H,27,29)