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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)F)C

InChI

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