8-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]isoquinoline

Systemtic Name: 8-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]isoquinoline Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-8-nitroisoquinoline IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-8-nitroisoquinoline Traditional Name: 5-(4-besylpiperazino)-8-nitro-isoquinoline Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H18N4O4S/c24-23(25)19-7-6-18(16-8-9-20-14-17(16)19)21-10-12-22(13-11-21)28(26,27)15-4-2-1-3-5-15/h1-9,14H,10-13H2