N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide Openeye Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-4-[[4-(methylthio)phenyl]sulfonylamino]benzenesulfonamide IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide Traditional Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[[4-(methylthio)phenyl]sulfonylamino]benzenesulfonamide Formula: C19H20N4O4S3 MolecularWeight: 464.5815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)SC)C

InChI

InChI=1S/C19H20N4O4S3/c1-13-12-14(2)21-19(20-13)23-30(26,27)17-8-4-15(5-9-17)22-29(24,25)18-10-6-16(28-3)7-11-18/h4-12,22H,1-3H3,(H,20,21,23)