6,7-dinitro-2-(4-piperidin-1-ylsulfonylphenyl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6,7-dinitro-2-(4-piperidin-1-ylsulfonylphenyl)benzo[de]isoquinoline-1,3-dione Openeye Name: 6,7-dinitro-2-[4-(1-piperidylsulfonyl)phenyl]benzo[de]isoquinoline-1,3-dione CAS Name: 6,7-dinitro-2-[4-(1-piperidinylsulfonyl)phenyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 6,7-dinitro-2-(4-piperidin-1-ylsulfonylphenyl)benzo[de]isoquinoline-1,3-dione Traditional Name: 6,7-dinitro-2-(4-piperidinosulfonylphenyl)benzo[de]isoquinoline-1,3-quinone Formula: C23H18N4O8S MolecularWeight: 510.47602

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=C5C(=CC=C(C5=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C3=O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C(=O)C4=C5C(=CC=C(C5=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C3=O

InChI

InChI=1S/C23H18N4O8S/c28-22-16-8-10-18(26(30)31)21-19(27(32)33)11-9-17(20(16)21)23(29)25(22)14-4-6-15(7-5-14)36(34,35)24-12-2-1-3-13-24/h4-11H,1-3,12-13H2