3-[[4-acetamido-2-[2-(1-adamantyl)ethoxy]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-acetamido-2-[2-(1-adamantyl)ethoxy]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-acetamido-2-[2-(1-adamantyl)ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-acetamido-2-[2-(1-adamantyl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-acetamido-2-[2-(1-adamantyl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[4-acetamido-2-[2-(1-adamantyl)ethoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C24H32N2O7S MolecularWeight: 492.58508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H32N2O7S/c1-15(28)25-19-2-3-22(34(31,32)26-20(14-27)10-23(29)30)21(9-19)33-5-4-24-11-16-6-17(12-24)8-18(7-16)13-24/h2-3,9,14,16-18,20,26H,4-8,10-13H2,1H3,(H,25,28)(H,29,30)