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

Systemtic Name: 3-fluoranyl-N-[(2S,3R)-4-[(3-methoxyphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-2-methyl-benzamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)sulfonyl-(2-thienylmethyl)amino]propyl]-3-fluoro-2-methyl-benzamide CAS Name: 3-fluoro-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]-2-methylbenzamide IUPAC Name: 3-fluoro-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]-1-phenylbutan-2-yl]-2-methylbenzamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)sulfonyl-(2-thenyl)amino]propyl]-3-fluoro-2-methyl-benzamide Formula: C30H31FN2O5S2 MolecularWeight: 582.705943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1F)C(=O)NC(CC2=CC=CC=C2)C(CN(CC3=CC=CS3)S(=O)(=O)C4=CC=CC(=C4)OC)O

Isomeric SMILES

CC1=C(C=CC=C1F)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN(CC3=CC=CS3)S(=O)(=O)C4=CC=CC(=C4)OC)O

InChI

InChI=1S/C30H31FN2O5S2/c1-21-26(14-7-15-27(21)31)30(35)32-28(17-22-9-4-3-5-10-22)29(34)20-33(19-24-12-8-16-39-24)40(36,37)25-13-6-11-23(18-25)38-2/h3-16,18,28-29,34H,17,19-20H2,1-2H3,(H,32,35)/t28-,29+/m0/s1