N-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]-2-fluoro-benzamide CAS Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]-2-fluorobenzamide IUPAC Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxyphenyl]-2-fluorobenzamide Traditional Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-methoxy-phenyl]-2-fluoro-benzamide Formula: C23H21FN2O4S MolecularWeight: 440.487243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C23H21FN2O4S/c1-30-22-11-10-18(14-21(22)25-23(27)19-8-4-5-9-20(19)24)31(28,29)26-13-12-16-6-2-3-7-17(16)15-26/h2-11,14H,12-13,15H2,1H3,(H,25,27)