1,4-bis[(2-chloranyl-5-nitro-phenyl)sulfonyl]-1,4-diazepane

Systemtic Name: 1,4-bis[(2-chloranyl-5-nitro-phenyl)sulfonyl]-1,4-diazepane Openeye Name: 1,4-bis[(2-chloro-5-nitro-phenyl)sulfonyl]-1,4-diazepane CAS Name: 1,4-bis[(2-chloro-5-nitrophenyl)sulfonyl]-1,4-diazepane IUPAC Name: 1,4-bis[(2-chloro-5-nitrophenyl)sulfonyl]-1,4-diazepane Traditional Name: 1,4-bis[(2-chloro-5-nitro-phenyl)sulfonyl]-1,4-diazepane Formula: C17H16Cl2N4O8S2 MolecularWeight: 539.36694

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H16Cl2N4O8S2/c18-14-4-2-12(22(24)25)10-16(14)32(28,29)20-6-1-7-21(9-8-20)33(30,31)17-11-13(23(26)27)3-5-15(17)19/h2-5,10-11H,1,6-9H2