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

Systemtic Name: 3-[[4-acetamido-2-[2-(benzimidazol-1-yl)ethoxy]phenyl]sulfonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-acetamido-2-[2-(benzimidazol-1-yl)ethoxy]phenyl]sulfonylamino]-4-oxo-butanoic acid CAS Name: 3-[[4-acetamido-2-[2-(1-benzimidazolyl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid IUPAC Name: 3-[[4-acetamido-2-[2-(benzimidazol-1-yl)ethoxy]phenyl]sulfonylamino]-4-oxobutanoic acid Traditional Name: 3-[[4-acetamido-2-[2-(benzimidazol-1-yl)ethoxy]phenyl]sulfonylamino]-4-keto-butyric acid Formula: C21H22N4O7S MolecularWeight: 474.48698

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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)OCCN2C=NC3=CC=CC=C32

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC(CC(=O)O)C=O)OCCN2C=NC3=CC=CC=C32

InChI

InChI=1S/C21H22N4O7S/c1-14(27)23-15-6-7-20(33(30,31)24-16(12-26)11-21(28)29)19(10-15)32-9-8-25-13-22-17-4-2-3-5-18(17)25/h2-7,10,12-13,16,24H,8-9,11H2,1H3,(H,23,27)(H,28,29)