N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-sulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-sulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-sulfonamide Traditional Name: N-homoveratryl-3-keto-4H-1,4-benzothiazine-6-sulfonamide Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)SCC(=O)N3)OC

InChI

InChI=1S/C18H20N2O5S2/c1-24-15-5-3-12(9-16(15)25-2)7-8-19-27(22,23)13-4-6-17-14(10-13)20-18(21)11-26-17/h3-6,9-10,19H,7-8,11H2,1-2H3,(H,20,21)