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

Systemtic Name: 2,4,5-tris(fluoranyl)-N-[(2S,3R)-4-[(3-methoxyphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-oxidanyl-benzamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)sulfonyl-(2-thienylmethyl)amino]propyl]-2,4,5-trifluoro-3-hydroxy-benzamide CAS Name: 2,4,5-trifluoro-3-hydroxy-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]benzamide IUPAC Name: 2,4,5-trifluoro-3-hydroxy-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]benzamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)sulfonyl-(2-thenyl)amino]propyl]-2,4,5-trifluoro-3-hydroxy-benzamide Formula: C29H27F3N2O6S2 MolecularWeight: 620.65969

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=CS2)CC(C(CC3=CC=CC=C3)NC(=O)C4=CC(=C(C(=C4F)O)F)F)O

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N(CC2=CC=CS2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)C4=CC(=C(C(=C4F)O)F)F)O

InChI

InChI=1S/C29H27F3N2O6S2/c1-40-19-9-5-11-21(14-19)42(38,39)34(16-20-10-6-12-41-20)17-25(35)24(13-18-7-3-2-4-8-18)33-29(37)22-15-23(30)27(32)28(36)26(22)31/h2-12,14-15,24-25,35-36H,13,16-17H2,1H3,(H,33,37)/t24-,25+/m0/s1