N5-[(3-fluoranylpyridin-4-yl)methyl]-N5-methyl-3-(phenylsulfonyl)-4-propan-2-yl-1H-pyrrole-2,5-dicarboxamide

Systemtic Name: N5-[(3-fluoranylpyridin-4-yl)methyl]-N5-methyl-3-(phenylsulfonyl)-4-propan-2-yl-1H-pyrrole-2,5-dicarboxamide Openeye Name: 3-(benzenesulfonyl)-N5-[(3-fluoro-4-pyridyl)methyl]-4-isopropyl-N5-methyl-1H-pyrrole-2,5-dicarboxamide CAS Name: 3-(benzenesulfonyl)-N5-[(3-fluoro-4-pyridinyl)methyl]-N5-methyl-4-propan-2-yl-1H-pyrrole-2,5-dicarboxamide IUPAC Name: 3-(benzenesulfonyl)-5-N-[(3-fluoropyridin-4-yl)methyl]-5-N-methyl-4-propan-2-yl-1H-pyrrole-2,5-dicarboxamide Traditional Name: 3-besyl-N'-[(3-fluoro-4-pyridyl)methyl]-4-isopropyl-N'-methyl-1H-pyrrole-2,5-dicarboxamide Formula: C22H23FN4O4S MolecularWeight: 458.505823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(NC(=C1S(=O)(=O)C2=CC=CC=C2)C(=O)N)C(=O)N(C)CC3=C(C=NC=C3)F

Isomeric SMILES

CC(C)C1=C(NC(=C1S(=O)(=O)C2=CC=CC=C2)C(=O)N)C(=O)N(C)CC3=C(C=NC=C3)F

InChI

InChI=1S/C22H23FN4O4S/c1-13(2)17-18(22(29)27(3)12-14-9-10-25-11-16(14)23)26-19(21(24)28)20(17)32(30,31)15-7-5-4-6-8-15/h4-11,13,26H,12H2,1-3H3,(H2,24,28)