methyl 1-[[2-(2-azanyl-1-oxidanyl-2-oxidanylidene-ethyl)phenyl]-(2-fluorophenyl)-phenyl-methoxy]heptane-2-sulfonate

Systemtic Name: methyl 1-[[2-(2-azanyl-1-oxidanyl-2-oxidanylidene-ethyl)phenyl]-(2-fluorophenyl)-phenyl-methoxy]heptane-2-sulfonate Openeye Name: methyl 1-[[2-(2-amino-1-hydroxy-2-oxo-ethyl)phenyl]-(2-fluorophenyl)-phenyl-methoxy]heptane-2-sulfonate CAS Name: 1-[[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]-(2-fluorophenyl)-phenylmethoxy]-2-heptanesulfonic acid IUPAC Name: methyl 1-[[2-(2-amino-1-hydroxy-2-oxoethyl)phenyl]-(2-fluorophenyl)-phenylmethoxy]heptane-2-sulfonate Traditional Name: 1-[[2-(2-amino-1-hydroxy-2-keto-ethyl)phenyl]-(2-fluorophenyl)-phenyl-methoxy]heptane-2-sulfonic acid methyl ester Formula: C29H34FNO6S MolecularWeight: 543.646763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2C(C(=O)N)O)C3=CC=CC=C3F)S(=O)(=O)OC

Isomeric SMILES

CCCCCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2C(C(=O)N)O)C3=CC=CC=C3F)S(=O)(=O)OC

InChI

InChI=1S/C29H34FNO6S/c1-3-4-6-15-22(38(34,35)36-2)20-37-29(21-13-7-5-8-14-21,25-18-11-12-19-26(25)30)24-17-10-9-16-23(24)27(32)28(31)33/h5,7-14,16-19,22,27,32H,3-4,6,15,20H2,1-2H3,(H2,31,33)