3-fluoranyl-4-methoxy-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide

Systemtic Name: 3-fluoranyl-4-methoxy-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide Openeye Name: 3-fluoro-4-methoxy-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide CAS Name: 3-fluoro-4-methoxy-N-[2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]oxy]ethyl]benzenesulfonamide IUPAC Name: 3-fluoro-4-methoxy-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide Traditional Name: 3-fluoro-4-methoxy-N-[2-(6-pyrrolidinopyrimidin-4-yl)oxyethyl]benzenesulfonamide Formula: C17H21FN4O4S MolecularWeight: 396.436443

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCC3)F

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCOC2=NC=NC(=C2)N3CCCC3)F

InChI

InChI=1S/C17H21FN4O4S/c1-25-15-5-4-13(10-14(15)18)27(23,24)21-6-9-26-17-11-16(19-12-20-17)22-7-2-3-8-22/h4-5,10-12,21H,2-3,6-9H2,1H3