N-(2-bromanyl-4-methyl-phenyl)-3-[(2-methyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-3-[(2-methyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide CAS Name: N-(2-bromo-4-methylphenyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-3-[(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-3-[(3-keto-2-methyl-4H-1,4-benzothiazin-6-yl)sulfonyl]butyramide Formula: C20H21BrN2O4S2 MolecularWeight: 497.42574

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)C(C)CC(=O)NC3=C(C=C(C=C3)C)Br

Isomeric SMILES

CC1C(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)C(C)CC(=O)NC3=C(C=C(C=C3)C)Br

InChI

InChI=1S/C20H21BrN2O4S2/c1-11-4-6-16(15(21)8-11)22-19(24)9-12(2)29(26,27)14-5-7-18-17(10-14)23-20(25)13(3)28-18/h4-8,10,12-13H,9H2,1-3H3,(H,22,24)(H,23,25)