2-chloranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5,5-bis(oxidanylidene)-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide

Systemtic Name: 2-chloranyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5,5-bis(oxidanylidene)-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide Openeye Name: 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide CAS Name: 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide IUPAC Name: 2-chloro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide Traditional Name: 2-chloro-5,5-diketo-N-(6-mesyl-1,3-benzothiazol-2-yl)-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide Formula: C21H19ClN4O5S3 MolecularWeight: 539.04736

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3Cl)N5CCCCCC5=NS4(=O)=O

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC4=C(C=C3Cl)N5CCCCCC5=NS4(=O)=O

InChI

InChI=1S/C21H19ClN4O5S3/c1-33(28,29)12-6-7-15-17(9-12)32-21(23-15)24-20(27)13-10-18-16(11-14(13)22)26-8-4-2-3-5-19(26)25-34(18,30)31/h6-7,9-11H,2-5,8H2,1H3,(H,23,24,27)