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

Systemtic Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]benzamide Openeye Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]benzamide CAS Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]methyl]benzamide IUPAC Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]methyl]benzamide Traditional Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]methyl]benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=C(C=C4)C(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=C(C=C4)C(=O)N)OC1

InChI

InChI=1S/C21H25N3O5S/c22-21(25)17-4-2-16(3-5-17)15-23-8-10-24(11-9-23)30(26,27)18-6-7-19-20(14-18)29-13-1-12-28-19/h2-7,14H,1,8-13,15H2,(H2,22,25)