methyl 7-[2-azanyl-1-[4-[(2-fluorophenyl)-phenyl-methyl]phenyl]-1-oxidanyl-2-oxidanylidene-ethoxy]heptane-1-sulfonate

Systemtic Name: methyl 7-[2-azanyl-1-[4-[(2-fluorophenyl)-phenyl-methyl]phenyl]-1-oxidanyl-2-oxidanylidene-ethoxy]heptane-1-sulfonate Openeye Name: methyl 7-[2-amino-1-[4-[(2-fluorophenyl)-phenyl-methyl]phenyl]-1-hydroxy-2-oxo-ethoxy]heptane-1-sulfonate CAS Name: 7-[2-amino-1-[4-[(2-fluorophenyl)-phenylmethyl]phenyl]-1-hydroxy-2-oxoethoxy]-1-heptanesulfonic acid IUPAC Name: methyl 7-[2-amino-1-[4-[(2-fluorophenyl)-phenylmethyl]phenyl]-1-hydroxy-2-oxoethoxy]heptane-1-sulfonate Traditional Name: 7-[2-amino-1-[4-[(2-fluorophenyl)-phenyl-methyl]phenyl]-1-hydroxy-2-keto-ethoxy]heptane-1-sulfonic acid methyl ester Formula: C29H34FNO6S MolecularWeight: 543.646763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)CCCCCCCOC(C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3F)(C(=O)N)O

Isomeric SMILES

COS(=O)(=O)CCCCCCCOC(C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3F)(C(=O)N)O

InChI

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