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

Systemtic Name: N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-2-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-2-(2-pyrimidinylthio)propanamide IUPAC Name: N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-(4-methyl-3-morpholinosulfonyl-phenyl)-2-(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)C(C)SC2=NC=CC=N2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC=CC=N2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H22N4O4S2/c1-13-4-5-15(12-16(13)28(24,25)22-8-10-26-11-9-22)21-17(23)14(2)27-18-19-6-3-7-20-18/h3-7,12,14H,8-11H2,1-2H3,(H,21,23)