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

Systemtic Name: 2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[3-[(3,5-dimethyl-1-piperidyl)sulfonyl]-4-methoxy-benzoyl]amino]terephthalic acid CAS Name: 2-[[[3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-4-methoxyphenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoyl]amino]terephthalic acid Traditional Name: 2-[[3-(3,5-dimethylpiperidino)sulfonyl-4-methoxy-benzoyl]amino]terephthalic acid Formula: C23H26N2O8S MolecularWeight: 490.52614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O8S/c1-13-8-14(2)12-25(11-13)34(31,32)20-10-15(5-7-19(20)33-3)21(26)24-18-9-16(22(27)28)4-6-17(18)23(29)30/h4-7,9-10,13-14H,8,11-12H2,1-3H3,(H,24,26)(H,27,28)(H,29,30)