2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanoic acid Openeye Name: 2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]acetic acid CAS Name: 2-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]acetic acid IUPAC Name: 2-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]acetic acid Traditional Name: 2-(4-nosylpiperazino)acetic acid Formula: C12H15N3O6S MolecularWeight: 329.329

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O6S/c16-12(17)9-13-5-7-14(8-6-13)22(20,21)11-3-1-10(2-4-11)15(18)19/h1-4H,5-9H2,(H,16,17)