N-[1-(2-ethanoylpiperazin-1-yl)-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]isoquinoline-5-sulfonamide

Systemtic Name: N-[1-(2-ethanoylpiperazin-1-yl)-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[2-(2-acetylpiperazin-1-yl)-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]isoquinoline-5-sulfonamide CAS Name: N-[1-(2-acetyl-1-piperazinyl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-(2-acetylpiperazin-1-yl)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[2-(2-acetylpiperazino)-1-(4-hydroxybenzyl)-2-keto-ethyl]isoquinoline-5-sulfonamide Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CNCCN1C(=O)C(CC2=CC=C(C=C2)O)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC(=O)C1CNCCN1C(=O)C(CC2=CC=C(C=C2)O)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C24H26N4O5S/c1-16(29)22-15-26-11-12-28(22)24(31)21(13-17-5-7-19(30)8-6-17)27-34(32,33)23-4-2-3-18-14-25-10-9-20(18)23/h2-10,14,21-22,26-27,30H,11-13,15H2,1H3