2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]terephthalic acid CAS Name: 2-[[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]terephthalic acid Traditional Name: 2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-benzoyl]amino]terephthalic acid Formula: C22H24N2O8S MolecularWeight: 476.49956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H24N2O8S/c1-32-19-9-7-15(33(30,31)24-10-4-2-3-5-11-24)13-17(19)20(25)23-18-12-14(21(26)27)6-8-16(18)22(28)29/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,25)(H,26,27)(H,28,29)