8-nitro-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)isoquinoline

Systemtic Name: 8-nitro-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)isoquinoline Openeye Name: 8-nitro-5-[4-(2-thienylsulfonyl)piperazin-1-yl]isoquinoline CAS Name: 8-nitro-5-(4-thiophen-2-ylsulfonyl-1-piperazinyl)isoquinoline IUPAC Name: 8-nitro-5-(4-thiophen-2-ylsulfonylpiperazin-1-yl)isoquinoline Traditional Name: 8-nitro-5-[4-(2-thienylsulfonyl)piperazino]isoquinoline Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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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=CS4

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C17H16N4O4S2/c22-21(23)16-4-3-15(13-5-6-18-12-14(13)16)19-7-9-20(10-8-19)27(24,25)17-2-1-11-26-17/h1-6,11-12H,7-10H2