2-(azepan-1-ylcarbonyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-4H-1,4-benzothiazine-6-sulfonamide

Systemtic Name: 2-(azepan-1-ylcarbonyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-4H-1,4-benzothiazine-6-sulfonamide Openeye Name: 2-(azepane-1-carbonyl)-N-(4-methylthiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide CAS Name: 2-[1-azepanyl(oxo)methyl]-N-(4-methyl-2-thiazolyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide IUPAC Name: 2-(azepane-1-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide Traditional Name: 2-(azepane-1-carbonyl)-3-keto-N-(4-methylthiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide Formula: C19H22N4O4S3 MolecularWeight: 466.59738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NS(=O)(=O)C2=CC3=C(C=C2)SC(C(=O)N3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CSC(=N1)NS(=O)(=O)C2=CC3=C(C=C2)SC(C(=O)N3)C(=O)N4CCCCCC4

InChI

InChI=1S/C19H22N4O4S3/c1-12-11-28-19(20-12)22-30(26,27)13-6-7-15-14(10-13)21-17(24)16(29-15)18(25)23-8-4-2-3-5-9-23/h6-7,10-11,16H,2-5,8-9H2,1H3,(H,20,22)(H,21,24)