2-chloranyl-3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]naphthalene-1,4-dione

Systemtic Name: 2-chloranyl-3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]naphthalene-1,4-dione Openeye Name: 2-chloro-3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]naphthalene-1,4-dione CAS Name: 2-chloro-3-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]naphthalene-1,4-dione Traditional Name: 2-chloro-3-[4-(2-nitrophenyl)sulfonylpiperazino]-1,4-naphthoquinone Formula: C20H16ClN3O6S MolecularWeight: 461.87554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H16ClN3O6S/c21-17-18(20(26)14-6-2-1-5-13(14)19(17)25)22-9-11-23(12-10-22)31(29,30)16-8-4-3-7-15(16)24(27)28/h1-8H,9-12H2