4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-[(4-piazthiol-4-ylsulfonylpiperazino)methyl]coumarin Formula: C21H20N4O5S2 MolecularWeight: 472.5373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2CN3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2CN3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54)O

InChI

InChI=1S/C21H20N4O5S2/c1-13-17(26)6-5-15-14(11-19(27)30-21(13)15)12-24-7-9-25(10-8-24)32(28,29)18-4-2-3-16-20(18)23-31-22-16/h2-6,11,26H,7-10,12H2,1H3