4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[(4-piazthiol-4-ylsulfonylpiperazino)methyl]coumarin Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54)O

InChI

InChI=1S/C22H22N4O5S2/c1-2-14-10-16-15(11-21(28)31-19(16)12-18(14)27)13-25-6-8-26(9-7-25)33(29,30)20-5-3-4-17-22(20)24-32-23-17/h3-5,10-12,27H,2,6-9,13H2,1H3