N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,4-bis(oxidanylidene)-1H-pyrimidine-5-sulfonamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,4-bis(oxidanylidene)-1H-pyrimidine-5-sulfonamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide Traditional Name: 2,4-diketo-N-(6-mesyl-1,3-benzothiazol-2-yl)-1H-pyrimidine-5-sulfonamide Formula: C12H10N4O6S3 MolecularWeight: 402.426

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CNC(=O)NC3=O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NS(=O)(=O)C3=CNC(=O)NC3=O

InChI

InChI=1S/C12H10N4O6S3/c1-24(19,20)6-2-3-7-8(4-6)23-12(14-7)16-25(21,22)9-5-13-11(18)15-10(9)17/h2-5H,1H3,(H,14,16)(H2,13,15,17,18)