2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]terephthalic acid CAS Name: 2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]terephthalic acid IUPAC Name: 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]terephthalic acid Traditional Name: 2-[(4-pyrrolidinosulfonylbenzoyl)amino]terephthalic acid Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C19H18N2O7S/c22-17(20-16-11-13(18(23)24)5-8-15(16)19(25)26)12-3-6-14(7-4-12)29(27,28)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)(H,23,24)(H,25,26)