[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate

Systemtic Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Openeye Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] ester IUPAC Name: [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-sulfonic acid [4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] ester Formula: C18H16N2O6S MolecularWeight: 388.39444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NO1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=NC(=NO1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C18H16N2O6S/c1-12-19-18(20-25-12)13-3-5-14(6-4-13)26-27(21,22)15-7-8-16-17(11-15)24-10-2-9-23-16/h3-8,11H,2,9-10H2,1H3