2-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]terephthalic acid

Systemtic Name: 2-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonylamino]terephthalic acid Openeye Name: 2-[(4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoyl)amino]terephthalic acid CAS Name: 2-[[[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)amino]terephthalic acid Traditional Name: 2-[(4-methoxy-3-pyrrolidinosulfonyl-benzoyl)amino]terephthalic acid Formula: C20H20N2O8S MolecularWeight: 448.4464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H20N2O8S/c1-30-16-7-5-12(11-17(16)31(28,29)22-8-2-3-9-22)18(23)21-15-10-13(19(24)25)4-6-14(15)20(26)27/h4-7,10-11H,2-3,8-9H2,1H3,(H,21,23)(H,24,25)(H,26,27)