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

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-[4-(1-imidazolyl)phenyl]methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(4-imidazol-1-ylphenyl)methanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-(4-imidazol-1-ylphenyl)methanone Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=CN=C5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CC=C(C=C4)N5C=CN=C5)OC1

InChI

InChI=1S/C23H24N4O5S/c28-23(18-2-4-19(5-3-18)26-9-8-24-17-26)25-10-12-27(13-11-25)33(29,30)20-6-7-21-22(16-20)32-15-1-14-31-21/h2-9,16-17H,1,10-15H2