N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[4-(3-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[4-(3-fluorophenyl)piperazino]-2-keto-ethyl]isoquinoline-5-sulfonamide Formula: C21H21FN4O3S MolecularWeight: 428.479843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4O3S/c22-17-4-2-5-18(13-17)25-9-11-26(12-10-25)21(27)15-24-30(28,29)20-6-1-3-16-14-23-8-7-19(16)20/h1-8,13-14,24H,9-12,15H2