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

Systemtic Name: N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C22H23FN4O3S MolecularWeight: 442.506423

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CC(=O)N1CCN(CC1)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H23FN4O3S/c1-25(31(29,30)21-4-2-3-17-15-24-10-9-20(17)21)16-22(28)27-13-11-26(12-14-27)19-7-5-18(23)6-8-19/h2-10,15H,11-14,16H2,1H3