1-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]-4-(3-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]-4-(3-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(3-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(3-nitrophenyl)sulfonyl-piperazine Formula: C17H14ClF3N4O6S MolecularWeight: 494.82947

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClF3N4O6S/c18-14-10-15(16(25(28)29)9-13(14)17(19,20)21)22-4-6-23(7-5-22)32(30,31)12-3-1-2-11(8-12)24(26)27/h1-3,8-10H,4-7H2