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4-[2-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethyl]benzoic acid
4-[2-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)amino]ethyl]benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCC3=CC=C(C=C3)C(=O)O
Isomeric SMILES
C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C19H21N3O6S/c23-19(24)15-5-3-14(4-6-15)9-10-20-17-8-7-16(22(25)26)13-18(17)29(27,28)21-11-1-2-12-21/h3-8,13,20H,1-2,9-12H2,(H,23,24)
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