2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[2-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]benzoyl]amino]terephthalic acid CAS Name: 2-[[[2-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]terephthalic acid Traditional Name: 2-[[2-methyl-5-(2-methylpiperidino)sulfonyl-benzoyl]amino]terephthalic acid Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3=C(C=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H24N2O7S/c1-13-6-8-16(32(30,31)24-10-4-3-5-14(24)2)12-18(13)20(25)23-19-11-15(21(26)27)7-9-17(19)22(28)29/h6-9,11-12,14H,3-5,10H2,1-2H3,(H,23,25)(H,26,27)(H,28,29)