2-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[[1-[(E)-styryl]sulfonylpiperidine-4-carbonyl]amino]terephthalic acid CAS Name: 2-[[oxo-[1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]methyl]amino]terephthalic acid IUPAC Name: 2-[[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[[1-[(E)-styryl]sulfonylisonipecotoyl]amino]terephthalic acid Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O7S/c25-20(23-19-14-17(21(26)27)6-7-18(19)22(28)29)16-8-11-24(12-9-16)32(30,31)13-10-15-4-2-1-3-5-15/h1-7,10,13-14,16H,8-9,11-12H2,(H,23,25)(H,26,27)(H,28,29)/b13-10+