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

Systemtic Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole Openeye Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-(2-thienyl)thiazole CAS Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-2-thiophen-2-ylthiazole IUPAC Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole Traditional Name: 4-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-(2-thienyl)thiazole Formula: C21H24N3O4S3+ MolecularWeight: 478.62796

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CSC(=N4)C5=CC=CS5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CSC(=N4)C5=CC=CS5)OC1

InChI

InChI=1S/C21H23N3O4S3/c25-31(26,17-4-5-18-19(13-17)28-11-2-10-27-18)24-8-6-23(7-9-24)14-16-15-30-21(22-16)20-3-1-12-29-20/h1,3-5,12-13,15H,2,6-11,14H2/p+1