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

Systemtic Name: 1-[2-[3,5-bis(chloranyl)phenoxy]-5-cyano-phenyl]sulfonylpiperazine-2-carboxylic acid Openeye Name: 1-[5-cyano-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine-2-carboxylic acid CAS Name: 1-[5-cyano-2-(3,5-dichlorophenoxy)phenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[5-cyano-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 1-[5-cyano-2-(3,5-dichlorophenoxy)phenyl]sulfonylpiperazine-2-carboxylic acid Formula: C18H15Cl2N3O5S MolecularWeight: 456.2998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)C#N)OC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

C1CN(C(CN1)C(=O)O)S(=O)(=O)C2=C(C=CC(=C2)C#N)OC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C18H15Cl2N3O5S/c19-12-6-13(20)8-14(7-12)28-16-2-1-11(9-21)5-17(16)29(26,27)23-4-3-22-10-15(23)18(24)25/h1-2,5-8,15,22H,3-4,10H2,(H,24,25)