8-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]isoquinoline

Systemtic Name: 8-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]isoquinoline Openeye Name: 8-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]isoquinoline CAS Name: 8-nitro-5-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]isoquinoline IUPAC Name: 8-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]isoquinoline Traditional Name: 8-nitro-5-[4-(2-nitrophenyl)sulfonylpiperazino]isoquinoline Formula: C19H17N5O6S MolecularWeight: 443.43318

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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[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O6S/c25-23(26)17-6-5-16(14-7-8-20-13-15(14)17)21-9-11-22(12-10-21)31(29,30)19-4-2-1-3-18(19)24(27)28/h1-8,13H,9-12H2