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

Systemtic Name: N5-[(2-chloranyl-3-fluoranyl-pyridin-4-yl)methyl]-N5-methyl-3-(phenylsulfonyl)-4-propan-2-yl-1H-pyrrole-2,5-dicarboxamide Openeye Name: 3-(benzenesulfonyl)-N5-[(2-chloro-3-fluoro-4-pyridyl)methyl]-4-isopropyl-N5-methyl-1H-pyrrole-2,5-dicarboxamide CAS Name: 3-(benzenesulfonyl)-N5-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-N5-methyl-4-propan-2-yl-1H-pyrrole-2,5-dicarboxamide IUPAC Name: 3-(benzenesulfonyl)-5-N-[(2-chloro-3-fluoropyridin-4-yl)methyl]-5-N-methyl-4-propan-2-yl-1H-pyrrole-2,5-dicarboxamide Traditional Name: 3-besyl-N'-[(2-chloro-3-fluoro-4-pyridyl)methyl]-4-isopropyl-N'-methyl-1H-pyrrole-2,5-dicarboxamide Formula: C22H22ClFN4O4S MolecularWeight: 492.950883

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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)Cl)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)Cl)F

InChI

InChI=1S/C22H22ClFN4O4S/c1-12(2)15-17(22(30)28(3)11-13-9-10-26-20(23)16(13)24)27-18(21(25)29)19(15)33(31,32)14-7-5-4-6-8-14/h4-10,12,27H,11H2,1-3H3,(H2,25,29)