N-methyl-N-[2-[2-(phenylsulfonyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-methyl-N-[2-[2-(phenylsulfonyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[2-[2-(benzenesulfonyl)-1-piperazinyl]ethyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[2-[2-(benzenesulfonyl)piperazin-1-yl]ethyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[2-(2-besylpiperazino)ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C22H26N4O4S2 MolecularWeight: 474.59624

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCNCC1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CCN1CCNCC1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C22H26N4O4S2/c1-25(32(29,30)21-9-5-6-18-16-23-11-10-20(18)21)14-15-26-13-12-24-17-22(26)31(27,28)19-7-3-2-4-8-19/h2-11,16,22,24H,12-15,17H2,1H3