2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(8-nitro-5-isoquinolyl)piperazino]sulfonylbenzonitrile Formula: C20H17N5O4S MolecularWeight: 423.44508

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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=C4C#N

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C20H17N5O4S/c21-13-15-3-1-2-4-20(15)30(28,29)24-11-9-23(10-12-24)18-5-6-19(25(26)27)17-14-22-8-7-16(17)18/h1-8,14H,9-12H2