2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-1,3-benzoxazole

Systemtic Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methyl]-1,3-benzoxazole Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5O4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5O4)OC1

InChI

InChI=1S/C21H23N3O5S/c25-30(26,16-6-7-19-20(14-16)28-13-3-12-27-19)24-10-8-23(9-11-24)15-21-22-17-4-1-2-5-18(17)29-21/h1-2,4-7,14H,3,8-13,15H2