N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-1,1-bis(oxidanylidene)-2,5-dihydrothiophene-3-sulfonamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-yl-ethyl]-1,1-bis(oxidanylidene)-2,5-dihydrothiophene-3-sulfonamide Openeye Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-1,1-dioxo-2,5-dihydrothiophene-3-sulfonamide CAS Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridinyl)ethyl]-1,1-dioxo-2,5-dihydrothiophene-3-sulfonamide IUPAC Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-pyridin-3-ylethyl]-1,1-dioxo-2,5-dihydrothiophene-3-sulfonamide Traditional Name: N-[2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyridyl)ethyl]-1,1-diketo-2,5-dihydrothiophene-3-sulfonamide Formula: C19H22N2O6S3 MolecularWeight: 470.58278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=CCS(=O)(=O)C2)C3=CN=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(CNS(=O)(=O)C2=CCS(=O)(=O)C2)C3=CN=CC=C3)C

InChI

InChI=1S/C19H22N2O6S3/c1-14-5-6-17(10-15(14)2)29(24,25)19(16-4-3-8-20-11-16)12-21-30(26,27)18-7-9-28(22,23)13-18/h3-8,10-11,19,21H,9,12-13H2,1-2H3