2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]amino]terephthalic acid CAS Name: 2-[[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]terephthalic acid Traditional Name: 2-[[4-(3,5-dimethylpiperidino)sulfonylbenzoyl]amino]terephthalic acid Formula: C22H24N2O7S MolecularWeight: 460.50016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O)C

InChI

InChI=1S/C22H24N2O7S/c1-13-9-14(2)12-24(11-13)32(30,31)17-6-3-15(4-7-17)20(25)23-19-10-16(21(26)27)5-8-18(19)22(28)29/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,23,25)(H,26,27)(H,28,29)