2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)acetamide CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)acetamide Formula: C20H26N4O4S2 MolecularWeight: 450.57484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C)C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C)C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H26N4O4S2/c1-4-28-17-8-7-16(12-18(17)30(26,27)24-9-5-6-10-24)23-19(25)13-29-20-21-14(2)11-15(3)22-20/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,23,25)