N-(3-fluoranyl-4-pyrazol-1-yl-phenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-(3-fluoranyl-4-pyrazol-1-yl-phenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide Openeye Name: N-(3-fluoro-4-pyrazol-1-yl-phenyl)-4-morpholinosulfonyl-1H-pyrrole-2-carboxamide CAS Name: N-[3-fluoro-4-(1-pyrazolyl)phenyl]-4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxamide IUPAC Name: N-(3-fluoro-4-pyrazol-1-ylphenyl)-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide Traditional Name: N-(3-fluoro-4-pyrazol-1-yl-phenyl)-4-morpholinosulfonyl-1H-pyrrole-2-carboxamide Formula: C18H18FN5O4S MolecularWeight: 419.430023

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)NC3=CC(=C(C=C3)N4C=CC=N4)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CNC(=C2)C(=O)NC3=CC(=C(C=C3)N4C=CC=N4)F

InChI

InChI=1S/C18H18FN5O4S/c19-15-10-13(2-3-17(15)24-5-1-4-21-24)22-18(25)16-11-14(12-20-16)29(26,27)23-6-8-28-9-7-23/h1-5,10-12,20H,6-9H2,(H,22,25)