[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-[3-(1,2,3,4-tetrazol-1-yl)phenyl]methanone

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-[3-(1,2,3,4-tetrazol-1-yl)phenyl]methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-[3-(1-tetrazolyl)phenyl]methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-[3-(tetrazol-1-yl)phenyl]methanone Formula: C21H22N6O5S MolecularWeight: 470.50158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC(=CC=C4)N5C=NN=N5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC(=CC=C4)N5C=NN=N5)OC1

InChI

InChI=1S/C21H22N6O5S/c28-21(16-3-1-4-17(13-16)27-15-22-23-24-27)25-7-9-26(10-8-25)33(29,30)18-5-6-19-20(14-18)32-12-2-11-31-19/h1,3-6,13-15H,2,7-12H2