3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]methyl]-5-methyl-1,2-oxazole

Systemtic Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]methyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]methyl]-5-methyl-isoxazole CAS Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1,4-diazepan-1-yl]methyl]-5-methyl-1,2-oxazole Traditional Name: 5-methyl-3-[(4-piazthiol-4-ylsulfonyl-1,4-diazepan-1-yl)methyl]isoxazole Formula: C16H19N5O3S2 MolecularWeight: 393.48376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C16H19N5O3S2/c1-12-10-13(17-24-12)11-20-6-3-7-21(9-8-20)26(22,23)15-5-2-4-14-16(15)19-25-18-14/h2,4-5,10H,3,6-9,11H2,1H3