N-[2-[[(2E,4E,6E)-7-[4-(trifluoromethyl)phenyl]hepta-2,4,6-trienyl]amino]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[[(2E,4E,6E)-7-[4-(trifluoromethyl)phenyl]hepta-2,4,6-trienyl]amino]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[[(2E,4E,6E)-7-[4-(trifluoromethyl)phenyl]hepta-2,4,6-trienyl]amino]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[[(2E,4E,6E)-7-[4-(trifluoromethyl)phenyl]hepta-2,4,6-trienyl]amino]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[[(2E,4E,6E)-7-[4-(trifluoromethyl)phenyl]hepta-2,4,6-trienyl]amino]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[[(2E,4E,6E)-7-[4-(trifluoromethyl)phenyl]hepta-2,4,6-trienyl]amino]ethyl]isoquinoline-5-sulfonamide Formula: C25H24F3N3O2S MolecularWeight: 487.53717

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNCC=CC=CC=CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCNC/C=C/C=C/C=C/C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C25H24F3N3O2S/c26-25(27,28)22-12-10-20(11-13-22)7-4-2-1-3-5-15-29-17-18-31-34(32,33)24-9-6-8-21-19-30-16-14-23(21)24/h1-14,16,19,29,31H,15,17-18H2/b2-1+,5-3+,7-4+