2-chloranyl-N-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide CAS Name: 2-chloro-N-(2,3-dimethylphenyl)-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide IUPAC Name: 2-chloro-N-(2,3-dimethylphenyl)-5,5-dioxo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide Traditional Name: 2-chloro-N-(2,3-dimethylphenyl)-5,5-diketo-8,9,10,11-tetrahydro-7H-azepino[2,1-c][1,2,4]benzothiadiazine-3-carboxamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2=CC3=C(C=C2Cl)N4CCCCCC4=NS3(=O)=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2=CC3=C(C=C2Cl)N4CCCCCC4=NS3(=O)=O)C

InChI

InChI=1S/C21H22ClN3O3S/c1-13-7-6-8-17(14(13)2)23-21(26)15-11-19-18(12-16(15)22)25-10-5-3-4-9-20(25)24-29(19,27)28/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,23,26)