1-[2-[3,5-bis(chloranyl)phenoxy]-5-nitro-phenyl]sulfonylpiperazine-2-carboxylic acid

Systemtic Name: 1-[2-[3,5-bis(chloranyl)phenoxy]-5-nitro-phenyl]sulfonylpiperazine-2-carboxylic acid Openeye Name: 1-[2-(3,5-dichlorophenoxy)-5-nitro-phenyl]sulfonylpiperazine-2-carboxylic acid CAS Name: 1-[2-(3,5-dichlorophenoxy)-5-nitrophenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[2-(3,5-dichlorophenoxy)-5-nitrophenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 1-[2-(3,5-dichlorophenoxy)-5-nitro-phenyl]sulfonylpiperazine-2-carboxylic acid Formula: C17H15Cl2N3O7S MolecularWeight: 476.2879

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

C1CN(C(CN1)C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C17H15Cl2N3O7S/c18-10-5-11(19)7-13(6-10)29-15-2-1-12(22(25)26)8-16(15)30(27,28)21-4-3-20-9-14(21)17(23)24/h1-2,5-8,14,20H,3-4,9H2,(H,23,24)