2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]terephthalic acid

Systemtic Name: 2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]terephthalic acid Openeye Name: 2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]terephthalic acid CAS Name: 2-[[1-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propyl]amino]terephthalic acid IUPAC Name: 2-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]terephthalic acid Traditional Name: 2-[3-(4-pyrrolidinosulfonylphenyl)propanoylamino]terephthalic acid Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7S/c24-19(22-18-13-15(20(25)26)6-9-17(18)21(27)28)10-5-14-3-7-16(8-4-14)31(29,30)23-11-1-2-12-23/h3-4,6-9,13H,1-2,5,10-12H2,(H,22,24)(H,25,26)(H,27,28)