1-[2-oxidanyl-3-propyl-4-[5-(2H-1,2,3,4-tetrazol-5-ylsulfonyl)pentoxy]phenyl]ethanone

Systemtic Name: 1-[2-oxidanyl-3-propyl-4-[5-(2H-1,2,3,4-tetrazol-5-ylsulfonyl)pentoxy]phenyl]ethanone Openeye Name: 1-[2-hydroxy-3-propyl-4-[5-(2H-tetrazol-5-ylsulfonyl)pentoxy]phenyl]ethanone CAS Name: 1-[2-hydroxy-3-propyl-4-[5-(2H-tetrazol-5-ylsulfonyl)pentoxy]phenyl]ethanone IUPAC Name: 1-[2-hydroxy-3-propyl-4-[5-(2H-tetrazol-5-ylsulfonyl)pentoxy]phenyl]ethanone Traditional Name: 1-[2-hydroxy-3-propyl-4-[5-(2H-tetrazol-5-ylsulfonyl)pentoxy]phenyl]ethanone Formula: C17H24N4O5S MolecularWeight: 396.46126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCS(=O)(=O)C2=NNN=N2

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCS(=O)(=O)C2=NNN=N2

InChI

InChI=1S/C17H24N4O5S/c1-3-7-14-15(9-8-13(12(2)22)16(14)23)26-10-5-4-6-11-27(24,25)17-18-20-21-19-17/h8-9,23H,3-7,10-11H2,1-2H3,(H,18,19,20,21)