2,5-bis(chloranyl)-N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]thiophene-3-sulfonamide

Systemtic Name: 2,5-bis(chloranyl)-N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]thiophene-3-sulfonamide Openeye Name: 2,5-dichloro-N-[1-(4-methylpiperazin-1-yl)-3-isoquinolyl]thiophene-3-sulfonamide CAS Name: 2,5-dichloro-N-[1-(4-methyl-1-piperazinyl)-3-isoquinolinyl]-3-thiophenesulfonamide IUPAC Name: 2,5-dichloro-N-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]thiophene-3-sulfonamide Traditional Name: 2,5-dichloro-N-[1-(4-methylpiperazino)-3-isoquinolyl]thiophene-3-sulfonamide Formula: C18H18Cl2N4O2S2 MolecularWeight: 457.39712

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)NS(=O)(=O)C4=C(SC(=C4)Cl)Cl

Isomeric SMILES

CN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)NS(=O)(=O)C4=C(SC(=C4)Cl)Cl

InChI

InChI=1S/C18H18Cl2N4O2S2/c1-23-6-8-24(9-7-23)18-13-5-3-2-4-12(13)10-16(21-18)22-28(25,26)14-11-15(19)27-17(14)20/h2-5,10-11H,6-9H2,1H3,(H,21,22)