1-[2-[3,5-bis(chloranyl)phenoxy]-5-nitro-phenyl]sulfonyl-1,4-diazepane

Systemtic Name: 1-[2-[3,5-bis(chloranyl)phenoxy]-5-nitro-phenyl]sulfonyl-1,4-diazepane Openeye Name: 1-[2-(3,5-dichlorophenoxy)-5-nitro-phenyl]sulfonyl-1,4-diazepane CAS Name: 1-[2-(3,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-1,4-diazepane IUPAC Name: 1-[2-(3,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-1,4-diazepane Traditional Name: 1-[2-(3,5-dichlorophenoxy)-5-nitro-phenyl]sulfonyl-1,4-diazepane Formula: C17H17Cl2N3O5S MolecularWeight: 446.30498

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

C1CNCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C17H17Cl2N3O5S/c18-12-8-13(19)10-15(9-12)27-16-3-2-14(22(23)24)11-17(16)28(25,26)21-6-1-4-20-5-7-21/h2-3,8-11,20H,1,4-7H2