N-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide

Systemtic Name: N-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide Openeye Name: N-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide CAS Name: N-(4-methyl-2-pyrimidinyl)-4-[[4-(methylthio)phenyl]sulfonylamino]benzenesulfonamide IUPAC Name: N-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide Traditional Name: N-(4-methylpyrimidin-2-yl)-4-[[4-(methylthio)phenyl]sulfonylamino]benzenesulfonamide Formula: C18H18N4O4S3 MolecularWeight: 450.55492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C18H18N4O4S3/c1-13-11-12-19-18(20-13)22-29(25,26)16-7-3-14(4-8-16)21-28(23,24)17-9-5-15(27-2)6-10-17/h3-12,21H,1-2H3,(H,19,20,22)