tert-butyl 2-[[4-[6-(1H-imidazol-2-yl)hex-1-ynyl]phenyl]sulfonylamino]propanoate

Systemtic Name: tert-butyl 2-[[4-[6-(1H-imidazol-2-yl)hex-1-ynyl]phenyl]sulfonylamino]propanoate Openeye Name: tert-butyl 2-[[4-[6-(1H-imidazol-2-yl)hex-1-ynyl]phenyl]sulfonylamino]propanoate CAS Name: 2-[[4-[6-(1H-imidazol-2-yl)hex-1-ynyl]phenyl]sulfonylamino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[6-(1H-imidazol-2-yl)hex-1-ynyl]phenyl]sulfonylamino]propanoate Traditional Name: 2-[[4-[6-(1H-imidazol-2-yl)hex-1-ynyl]phenyl]sulfonylamino]propionic acid tert-butyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)C#CCCCCC2=NC=CN2

Isomeric SMILES

CC(C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)C#CCCCCC2=NC=CN2

InChI

InChI=1S/C22H29N3O4S/c1-17(21(26)29-22(2,3)4)25-30(27,28)19-13-11-18(12-14-19)9-7-5-6-8-10-20-23-15-16-24-20/h11-17,25H,5-6,8,10H2,1-4H3,(H,23,24)