N-[(2S,3R)-3-oxidanyl-1-phenyl-4-[thiophen-2-ylmethyl-[2,4,5-tris(fluoranyl)phenyl]sulfonyl-amino]butan-2-yl]pyridazine-4-carboxamide

Systemtic Name: N-[(2S,3R)-3-oxidanyl-1-phenyl-4-[thiophen-2-ylmethyl-[2,4,5-tris(fluoranyl)phenyl]sulfonyl-amino]butan-2-yl]pyridazine-4-carboxamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[2-thienylmethyl-(2,4,5-trifluorophenyl)sulfonyl-amino]propyl]pyridazine-4-carboxamide CAS Name: N-[(2S,3R)-3-hydroxy-1-phenyl-4-[thiophen-2-ylmethyl-(2,4,5-trifluorophenyl)sulfonylamino]butan-2-yl]-4-pyridazinecarboxamide IUPAC Name: N-[(2S,3R)-3-hydroxy-1-phenyl-4-[thiophen-2-ylmethyl-(2,4,5-trifluorophenyl)sulfonylamino]butan-2-yl]pyridazine-4-carboxamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[2-thenyl-(2,4,5-trifluorophenyl)sulfonyl-amino]propyl]pyridazine-4-carboxamide Formula: C26H23F3N4O4S2 MolecularWeight: 576.61043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(CN(CC2=CC=CS2)S(=O)(=O)C3=C(C=C(C(=C3)F)F)F)O)NC(=O)C4=CN=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]([C@@H](CN(CC2=CC=CS2)S(=O)(=O)C3=C(C=C(C(=C3)F)F)F)O)NC(=O)C4=CN=NC=C4

InChI

InChI=1S/C26H23F3N4O4S2/c27-20-12-22(29)25(13-21(20)28)39(36,37)33(15-19-7-4-10-38-19)16-24(34)23(11-17-5-2-1-3-6-17)32-26(35)18-8-9-30-31-14-18/h1-10,12-14,23-24,34H,11,15-16H2,(H,32,35)/t23-,24+/m0/s1