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

Systemtic Name: N-(4-fluorophenyl)-N-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide Openeye Name: N-(4-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-(4-fluorophenyl)-N-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-(4-fluorophenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide Traditional Name: N-(4-fluorophenyl)-N-[2-keto-2-(4-phenylpiperazino)ethyl]isoquinoline-5-sulfonamide Formula: C27H25FN4O3S MolecularWeight: 504.575803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C27H25FN4O3S/c28-22-9-11-24(12-10-22)32(36(34,35)26-8-4-5-21-19-29-14-13-25(21)26)20-27(33)31-17-15-30(16-18-31)23-6-2-1-3-7-23/h1-14,19H,15-18,20H2