N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H23FN2O5S MolecularWeight: 482.523923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H23FN2O5S/c1-16(17-6-11-23-24(13-17)33-15-32-23)27-25(29)22-12-18-4-2-3-5-19(18)14-28(22)34(30,31)21-9-7-20(26)8-10-21/h2-11,13,16,22H,12,14-15H2,1H3,(H,27,29)