2-[4-[4-[2-(2-acetamidoethylamino)-2-oxidanylidene-ethyl]phenyl]phenyl]sulfonylethanoic acid

Systemtic Name: 2-[4-[4-[2-(2-acetamidoethylamino)-2-oxidanylidene-ethyl]phenyl]phenyl]sulfonylethanoic acid Openeye Name: 2-[4-[4-[2-(2-acetamidoethylamino)-2-oxo-ethyl]phenyl]phenyl]sulfonylacetic acid CAS Name: 2-[4-[4-[2-(2-acetamidoethylamino)-2-oxoethyl]phenyl]phenyl]sulfonylacetic acid IUPAC Name: 2-[4-[4-[2-(2-acetamidoethylamino)-2-oxoethyl]phenyl]phenyl]sulfonylacetic acid Traditional Name: 2-[4-[4-[2-(2-acetamidoethylamino)-2-keto-ethyl]phenyl]phenyl]sulfonylacetic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)CC(=O)O

Isomeric SMILES

CC(=O)NCCNC(=O)CC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)CC(=O)O

InChI

InChI=1S/C20H22N2O6S/c1-14(23)21-10-11-22-19(24)12-15-2-4-16(5-3-15)17-6-8-18(9-7-17)29(27,28)13-20(25)26/h2-9H,10-13H2,1H3,(H,21,23)(H,22,24)(H,25,26)