5-chloranyl-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C19H23ClN4O4S2 MolecularWeight: 470.99332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H23ClN4O4S2/c1-3-28-15-8-7-13(11-16(15)30(26,27)24-9-5-4-6-10-24)22-18(25)17-14(20)12-21-19(23-17)29-2/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,22,25)