N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-fluoranyl-2-methoxy-benzenesulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-fluoranyl-2-methoxy-benzenesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-fluoro-2-methoxy-benzenesulfonamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyl-2-pyrrolyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-5-fluoro-2-methoxy-benzenesulfonamide Formula: C23H26FN3O3S MolecularWeight: 443.534243

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNS(=O)(=O)C2=C(C=CC(=C2)F)OC)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C=CC=C1C(CNS(=O)(=O)C2=C(C=CC(=C2)F)OC)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H26FN3O3S/c1-26-12-5-8-20(26)21(27-13-11-17-6-3-4-7-18(17)16-27)15-25-31(28,29)23-14-19(24)9-10-22(23)30-2/h3-10,12,14,21,25H,11,13,15-16H2,1-2H3