5-butyl-3-(phenylsulfonyl)-4,5-dihydro-1,2-oxazole

Systemtic Name: 5-butyl-3-(phenylsulfonyl)-4,5-dihydro-1,2-oxazole Openeye Name: 3-(benzenesulfonyl)-5-butyl-4,5-dihydroisoxazole CAS Name: 3-(benzenesulfonyl)-5-butyl-4,5-dihydroisoxazole IUPAC Name: 3-(benzenesulfonyl)-5-butyl-4,5-dihydro-1,2-oxazole Traditional Name: 3-besyl-5-butyl-2-isoxazoline Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(=NO1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1CC(=NO1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C13H17NO3S/c1-2-3-7-11-10-13(14-17-11)18(15,16)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3