N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(2-ethoxyphenyl)methyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(2-ethoxybenzyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H25FN2O4S MolecularWeight: 468.540403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN2O4S/c1-2-32-24-10-6-5-8-19(24)16-27-25(29)23-15-18-7-3-4-9-20(18)17-28(23)33(30,31)22-13-11-21(26)12-14-22/h3-14,23H,2,15-17H2,1H3,(H,27,29)