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

Systemtic Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]terephthalic acid CAS Name: 2-[[[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methoxybenzoyl]amino]terephthalic acid Traditional Name: 2-[[3-(azepan-1-ylsulfonyl)-4-methoxy-benzoyl]amino]terephthalic acid Formula: C22H24N2O8S MolecularWeight: 476.49956

Click to see the large picture

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)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)N3CCCCCC3

InChI

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