N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-4-morpholinosulfonyl-1H-pyrrole-2-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-4-morpholinosulfonyl-1H-pyrrole-2-carboxamide Formula: C17H20FN3O4S MolecularWeight: 381.421803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3)F

InChI

InChI=1S/C17H20FN3O4S/c1-12-2-3-13(8-15(12)18)10-20-17(22)16-9-14(11-19-16)26(23,24)21-4-6-25-7-5-21/h2-3,8-9,11,19H,4-7,10H2,1H3,(H,20,22)