2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(4-fluorobenzyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H23FN2O5S MolecularWeight: 482.523923

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)NCC5=CC=C(C=C5)F

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N3CC4=CC=CC=C4CC3C(=O)NCC5=CC=C(C=C5)F

InChI

InChI=1S/C25H23FN2O5S/c26-20-7-5-17(6-8-20)15-27-25(29)22-13-18-3-1-2-4-19(18)16-28(22)34(30,31)21-9-10-23-24(14-21)33-12-11-32-23/h1-10,14,22H,11-13,15-16H2,(H,27,29)