[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 3-(phenylsulfonyl)propanoate

Systemtic Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 3-(phenylsulfonyl)propanoate Openeye Name: [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid [5-(1,3-benzodioxol-5-yl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid [5-(1,3-benzodioxol-5-yl)isoxazol-3-yl]methyl ester Formula: C20H17NO7S MolecularWeight: 415.41648

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)COC(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NO3)COC(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H17NO7S/c22-20(8-9-29(23,24)16-4-2-1-3-5-16)25-12-15-11-18(28-21-15)14-6-7-17-19(10-14)27-13-26-17/h1-7,10-11H,8-9,12-13H2