N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(4-fluorophenyl)sulfonyl-N-piperonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H21FN2O5S MolecularWeight: 468.497343

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H21FN2O5S/c25-19-6-8-20(9-7-19)33(29,30)27-14-18-4-2-1-3-17(18)12-21(27)24(28)26-13-16-5-10-22-23(11-16)32-15-31-22/h1-11,21H,12-15H2,(H,26,28)