tert-butyl 6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfonyl]hexanoate

Systemtic Name: tert-butyl 6-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfonyl]hexanoate Openeye Name: tert-butyl 6-(1-phenyltetrazol-5-yl)sulfonylhexanoate CAS Name: 6-[(1-phenyl-5-tetrazolyl)sulfonyl]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-(1-phenyltetrazol-5-yl)sulfonylhexanoate Traditional Name: 6-(1-phenyltetrazol-5-yl)sulfonylhexanoic acid tert-butyl ester Formula: C17H24N4O4S MolecularWeight: 380.46186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCS(=O)(=O)C1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C17H24N4O4S/c1-17(2,3)25-15(22)12-8-5-9-13-26(23,24)16-18-19-20-21(16)14-10-6-4-7-11-14/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3