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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)F)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H23FN4O3S/c1-16(25-31(29,30)21-4-2-3-17-15-24-10-9-20(17)21)22(28)27-13-11-26(12-14-27)19-7-5-18(23)6-8-19/h2-10,15-16,25H,11-14H2,1H3/t16-/m0/s1