2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]terephthalic acid Traditional Name: 2-[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]terephthalic acid Formula: C20H19ClN2O7S MolecularWeight: 466.89206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O7S/c21-16-7-5-13(31(29,30)23-8-2-1-3-9-23)11-15(16)18(24)22-17-10-12(19(25)26)4-6-14(17)20(27)28/h4-7,10-11H,1-3,8-9H2,(H,22,24)(H,25,26)(H,27,28)