N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-3-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-3-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-3-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-3-(2-pyrimidinylthio)propanamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-3-(2-pyrimidylthio)propionamide Formula: C18H22N4O4S2 MolecularWeight: 422.52168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCSC2=NC=CC=N2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCSC2=NC=CC=N2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H22N4O4S2/c1-14-3-4-15(13-16(14)28(24,25)22-8-10-26-11-9-22)21-17(23)5-12-27-18-19-6-2-7-20-18/h2-4,6-7,13H,5,8-12H2,1H3,(H,21,23)