N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-4-phenoxy-benzenesulfonamide

Systemtic Name: N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-4-phenoxy-benzenesulfonamide Openeye Name: N-[1-(4-methylpiperazin-1-yl)-3-isoquinolyl]-4-phenoxy-benzenesulfonamide CAS Name: N-[1-(4-methyl-1-piperazinyl)-3-isoquinolinyl]-4-phenoxybenzenesulfonamide IUPAC Name: N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]-4-phenoxybenzenesulfonamide Traditional Name: N-[1-(4-methylpiperazino)-3-isoquinolyl]-4-phenoxy-benzenesulfonamide Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)NS(=O)(=O)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O3S/c1-29-15-17-30(18-16-29)26-24-10-6-5-7-20(24)19-25(27-26)28-34(31,32)23-13-11-22(12-14-23)33-21-8-3-2-4-9-21/h2-14,19H,15-18H2,1H3,(H,27,28)