2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-5-nitro-isoindole-1,3-dione Openeye Name: 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-5-nitro-isoindoline-1,3-dione CAS Name: 2-[2-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-5-nitroisoindole-1,3-dione IUPAC Name: 2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-nitroisoindole-1,3-dione Traditional Name: 2-[2-[4-(4-chlorophenyl)sulfonylpiperazino]-2-keto-ethyl]-5-nitro-isoindoline-1,3-quinone Formula: C20H17ClN4O7S MolecularWeight: 492.88958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN4O7S/c21-13-1-4-15(5-2-13)33(31,32)23-9-7-22(8-10-23)18(26)12-24-19(27)16-6-3-14(25(29)30)11-17(16)20(24)28/h1-6,11H,7-10,12H2