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

Systemtic Name: N-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]isoquinoline-5-sulfonamide CAS Name: N-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]isoquinoline-5-sulfonamide Traditional Name: N-[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethyl]isoquinoline-5-sulfonamide Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CNS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C23H24N4O4S/c1-17(28)18-5-7-20(8-6-18)26-11-13-27(14-12-26)23(29)16-25-32(30,31)22-4-2-3-19-15-24-10-9-21(19)22/h2-10,15,25H,11-14,16H2,1H3