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

Systemtic Name: N-[(4-methylphenyl)methyl]-3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide Openeye Name: 3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-(p-tolylmethyl)butanamide CAS Name: N-[(4-methylphenyl)methyl]-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide IUPAC Name: N-[(4-methylphenyl)methyl]-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]butanamide Traditional Name: 3-[(3-keto-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-(4-methylbenzyl)butyramide Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S2/c1-13-3-5-15(6-4-13)11-21-19(23)9-14(2)28(25,26)16-7-8-18-17(10-16)22-20(24)12-27-18/h3-8,10,14H,9,11-12H2,1-2H3,(H,21,23)(H,22,24)