3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-1,2-benzoxazole

Systemtic Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-1,2-benzoxazole Openeye Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-1,2-benzoxazole CAS Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]methyl]-1,2-benzoxazole IUPAC Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-1,2-benzoxazole Traditional Name: 3-[(4-piazthiol-4-ylsulfonylpiperazino)methyl]indoxazene Formula: C18H17N5O3S2 MolecularWeight: 415.48928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NOC3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1CC2=NOC3=CC=CC=C32)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C18H17N5O3S2/c24-28(25,17-7-3-5-14-18(17)21-27-20-14)23-10-8-22(9-11-23)12-15-13-4-1-2-6-16(13)26-19-15/h1-7H,8-12H2