2-(4-carboxyphenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: 2-(4-carboxyphenyl)sulfonylpiperazine-1-carboxylate Openeye Name: 2-(4-carboxyphenyl)sulfonylpiperazine-1-carboxylate CAS Name: 2-(4-carboxyphenyl)sulfonyl-1-piperazinecarboxylate IUPAC Name: 2-(4-carboxyphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 2-(4-carboxyphenyl)sulfonylpiperazine-1-carboxylate Formula: C12H13N2O6S- MolecularWeight: 313.30642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O)C(=O)[O-]

Isomeric SMILES

C1CN(C(CN1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O)C(=O)[O-]

InChI

InChI=1S/C12H14N2O6S/c15-11(16)8-1-3-9(4-2-8)21(19,20)10-7-13-5-6-14(10)12(17)18/h1-4,10,13H,5-7H2,(H,15,16)(H,17,18)/p-1