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

Systemtic Name: 4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]methyl]-6-chloro-7-methylchromen-2-one Traditional Name: 6-chloro-7-methyl-4-[(4-piazthiol-4-ylsulfonylpiperazino)methyl]coumarin Formula: C21H19ClN4O4S2 MolecularWeight: 490.98296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)S(=O)(=O)C4=CC=CC5=NSN=C54)Cl

InChI

InChI=1S/C21H19ClN4O4S2/c1-13-9-18-15(11-16(13)22)14(10-20(27)30-18)12-25-5-7-26(8-6-25)32(28,29)19-4-2-3-17-21(19)24-31-23-17/h2-4,9-11H,5-8,12H2,1H3