N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-chloranyl-3-morpholin-4-ylsulfonyl-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[4-chloro-3-(4-morpholinylsulfonyl)phenyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4-chloro-3-morpholinosulfonyl-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C18H21ClN4O4S2 MolecularWeight: 456.96674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C18H21ClN4O4S2/c1-12-9-13(2)21-18(20-12)28-11-17(24)22-14-3-4-15(19)16(10-14)29(25,26)23-5-7-27-8-6-23/h3-4,9-10H,5-8,11H2,1-2H3,(H,22,24)