4-nitro-2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 4-nitro-2-[[4-(2-nitrophenyl)sulfonylpiperazino]methyl]isoindoline-1,3-quinone Formula: C19H17N5O8S MolecularWeight: 475.43198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O8S/c25-18-13-4-3-6-15(24(29)30)17(13)19(26)22(18)12-20-8-10-21(11-9-20)33(31,32)16-7-2-1-5-14(16)23(27)28/h1-7H,8-12H2