5-butyl-7-(phenylmethoxymethyl)-1,4,5-oxathiazepane 4,4-dioxide

Systemtic Name: 5-butyl-7-(phenylmethoxymethyl)-1,4,5-oxathiazepane 4,4-dioxide Openeye Name: 7-(benzyloxymethyl)-5-butyl-1,4,5-oxathiazepane 4,4-dioxide CAS Name: 5-butyl-7-(phenylmethoxymethyl)-1,4,5-oxathiazepane 4,4-dioxide IUPAC Name: 5-butyl-7-(phenylmethoxymethyl)-1,4,5-oxathiazepane 4,4-dioxide Traditional Name: 7-(benzoxymethyl)-5-butyl-1,4,5-oxathiazepane 4,4-dioxide Formula: C16H25NO4S MolecularWeight: 327.439

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(OCCS1(=O)=O)COCC2=CC=CC=C2

Isomeric SMILES

CCCCN1CC(OCCS1(=O)=O)COCC2=CC=CC=C2

InChI

InChI=1S/C16H25NO4S/c1-2-3-9-17-12-16(21-10-11-22(17,18)19)14-20-13-15-7-5-4-6-8-15/h4-8,16H,2-3,9-14H2,1H3