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

Systemtic Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxidanylidene-propyl]isoquinoline-5-sulfonamide Openeye Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxo-propyl]isoquinoline-5-sulfonamide CAS Name: N-[3-[4-(4-fluorophenyl)-1-piperazinyl]-3-oxopropyl]-5-isoquinolinesulfonamide IUPAC Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]isoquinoline-5-sulfonamide Traditional Name: N-[3-[4-(4-fluorophenyl)piperazino]-3-keto-propyl]isoquinoline-5-sulfonamide Formula: C22H23FN4O3S MolecularWeight: 442.506423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN4O3S/c23-18-4-6-19(7-5-18)26-12-14-27(15-13-26)22(28)9-11-25-31(29,30)21-3-1-2-17-16-24-10-8-20(17)21/h1-8,10,16,25H,9,11-15H2