2-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]ethanoic acid

Systemtic Name: 2-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]ethanoic acid Openeye Name: 2-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]acetic acid CAS Name: 2-[3-[[4-(4-nitrophenyl)-1-piperazinyl]sulfonyl]phenyl]acetic acid IUPAC Name: 2-[3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylphenyl]acetic acid Traditional Name: 2-[3-[4-(4-nitrophenyl)piperazino]sulfonylphenyl]acetic acid Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C18H19N3O6S/c22-18(23)13-14-2-1-3-17(12-14)28(26,27)20-10-8-19(9-11-20)15-4-6-16(7-5-15)21(24)25/h1-7,12H,8-11,13H2,(H,22,23)