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

Systemtic Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone Openeye Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-[2-(2-thienyl)thiazol-4-yl]methanone CAS Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazinyl]-(2-thiophen-2-yl-4-thiazolyl)methanone IUPAC Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone Traditional Name: [4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazino]-[2-(2-thienyl)thiazol-4-yl]methanone Formula: C21H21N3O5S3 MolecularWeight: 491.60354

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CSC(=N4)C5=CC=CS5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C4=CSC(=N4)C5=CC=CS5)OC1

InChI

InChI=1S/C21H21N3O5S3/c25-21(16-14-31-20(22-16)19-3-1-12-30-19)23-6-8-24(9-7-23)32(26,27)15-4-5-17-18(13-15)29-11-2-10-28-17/h1,3-5,12-14H,2,6-11H2