5-[4-[2,3-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]-8-nitro-isoquinoline

Systemtic Name: 5-[4-[2,3-bis(chloranyl)phenyl]sulfonylpiperazin-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-8-nitro-isoquinoline CAS Name: 5-[4-(2,3-dichlorophenyl)sulfonyl-1-piperazinyl]-8-nitroisoquinoline IUPAC Name: 5-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-8-nitroisoquinoline Traditional Name: 5-[4-(2,3-dichlorophenyl)sulfonylpiperazino]-8-nitro-isoquinoline Formula: C19H16Cl2N4O4S MolecularWeight: 467.32574

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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=C(C(=CC=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H16Cl2N4O4S/c20-15-2-1-3-18(19(15)21)30(28,29)24-10-8-23(9-11-24)16-4-5-17(25(26)27)14-12-22-7-6-13(14)16/h1-7,12H,8-11H2