2-(1,3-benzodioxol-5-yl)-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(phenylsulfonyl)piperazin-1-yl]methyl]-1,3-thiazole Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(1,3-benzodioxol-5-yl)thiazole CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazinyl]methyl]-2-(1,3-benzodioxol-5-yl)thiazole IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-besylpiperazino)methyl]thiazole Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CSC(=N2)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C21H21N3O4S2/c25-30(26,18-4-2-1-3-5-18)24-10-8-23(9-11-24)13-17-14-29-21(22-17)16-6-7-19-20(12-16)28-15-27-19/h1-7,12,14H,8-11,13,15H2