N-[2-oxidanylidene-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-oxidanylidene-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-keto-2-[4-[4-(trifluoromethyl)phenyl]piperazino]ethyl]isoquinoline-5-sulfonamide Formula: C22H21F3N4O3S MolecularWeight: 478.48735

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(F)(F)F)C(=O)CNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(F)(F)F)C(=O)CNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H21F3N4O3S/c23-22(24,25)17-4-6-18(7-5-17)28-10-12-29(13-11-28)21(30)15-27-33(31,32)20-3-1-2-16-14-26-9-8-19(16)20/h1-9,14,27H,10-13,15H2