3-[4-(4-nitrophenyl)piperazin-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-(4-nitrophenyl)piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-(4-nitrophenyl)piperazin-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-(4-nitrophenyl)-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 3-[4-(4-nitrophenyl)piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-(4-nitrophenyl)piperazino]propane-1-sulfonic acid Formula: C13H19N3O5S MolecularWeight: 329.37206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCS(=O)(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCCS(=O)(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O5S/c17-16(18)13-4-2-12(3-5-13)15-9-7-14(8-10-15)6-1-11-22(19,20)21/h2-5H,1,6-11H2,(H,19,20,21)