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

Systemtic Name: 2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[[4-(2-chlorophenyl)sulfonyl-1-piperazinyl]methyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[[4-(2-chlorophenyl)sulfonylpiperazino]methyl]-4-nitro-isoindoline-1,3-quinone Formula: C19H17ClN4O6S MolecularWeight: 464.87948

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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=C4Cl

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C19H17ClN4O6S/c20-14-5-1-2-7-16(14)31(29,30)22-10-8-21(9-11-22)12-23-18(25)13-4-3-6-15(24(27)28)17(13)19(23)26/h1-7H,8-12H2