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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxidanylidene-3H-1,3-benzothiazole-6-sulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-3H-1,3-benzothiazole-6-sulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-3H-1,3-benzothiazole-6-sulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-3H-1,3-benzothiazole-6-sulfonamide Traditional Name: N-homoveratryl-2-keto-3H-1,3-benzothiazole-6-sulfonamide Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)S3)OC

InChI

InChI=1S/C17H18N2O5S2/c1-23-14-6-3-11(9-15(14)24-2)7-8-18-26(21,22)12-4-5-13-16(10-12)25-17(20)19-13/h3-6,9-10,18H,7-8H2,1-2H3,(H,19,20)