2-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanamide

Systemtic Name: 2-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]ethanamide Openeye Name: 2-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide CAS Name: 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]acetamide IUPAC Name: 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide Traditional Name: 2-[(4-chlorophenyl)sulfonyl-methyl-amino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]acetamide Formula: C21H21ClN4O3S2 MolecularWeight: 476.99944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H21ClN4O3S2/c1-14-12-15(2)24-21(23-14)30-18-8-6-17(7-9-18)25-20(27)13-26(3)31(28,29)19-10-4-16(22)5-11-19/h4-12H,13H2,1-3H3,(H,25,27)