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

Systemtic Name: 2-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]terephthalic acid Openeye Name: 2-[3-[4-(1-piperidylsulfonyl)phenyl]propanoylamino]terephthalic acid CAS Name: 2-[[1-oxo-3-[4-(1-piperidinylsulfonyl)phenyl]propyl]amino]terephthalic acid IUPAC Name: 2-[3-(4-piperidin-1-ylsulfonylphenyl)propanoylamino]terephthalic acid Traditional Name: 2-[3-(4-piperidinosulfonylphenyl)propanoylamino]terephthalic acid Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H24N2O7S/c25-20(23-19-14-16(21(26)27)7-10-18(19)22(28)29)11-6-15-4-8-17(9-5-15)32(30,31)24-12-2-1-3-13-24/h4-5,7-10,14H,1-3,6,11-13H2,(H,23,25)(H,26,27)(H,28,29)