5-[(4-methylphenyl)methyl]-1,4,5-oxathiazocane 4,4-dioxide

Systemtic Name: 5-[(4-methylphenyl)methyl]-1,4,5-oxathiazocane 4,4-dioxide Openeye Name: 5-(p-tolylmethyl)-1,4,5-oxathiazocane 4,4-dioxide CAS Name: 5-[(4-methylphenyl)methyl]-1,4,5-oxathiazocane 4,4-dioxide IUPAC Name: 5-[(4-methylphenyl)methyl]-1,4,5-oxathiazocane 4,4-dioxide Traditional Name: 5-(4-methylbenzyl)-1,4,5-oxathiazocane 4,4-dioxide Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCOCCS2(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCOCCS2(=O)=O

InChI

InChI=1S/C13H19NO3S/c1-12-3-5-13(6-4-12)11-14-7-2-8-17-9-10-18(14,15)16/h3-6H,2,7-11H2,1H3