N-(2,5-dimethylphenyl)-3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide

Systemtic Name: N-(2,5-dimethylphenyl)-3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide Openeye Name: N-(2,5-dimethylphenyl)-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide CAS Name: N-(2,5-dimethylphenyl)-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide IUPAC Name: N-(2,5-dimethylphenyl)-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide Traditional Name: N-(2,5-dimethylphenyl)-3-[(3-keto-4H-1,4-benzothiazin-6-yl)sulfonyl]butyramide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CC(C)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CC(C)S(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3

InChI

InChI=1S/C20H22N2O4S2/c1-12-4-5-13(2)16(8-12)21-19(23)9-14(3)28(25,26)15-6-7-18-17(10-15)22-20(24)11-27-18/h4-8,10,14H,9,11H2,1-3H3,(H,21,23)(H,22,24)