N-[3-fluoranyl-4-[1-[5-(2-methoxy-4-methyl-phenyl)carbonyl-1H-pyrrol-2-yl]ethyl]phenyl]-2-oxidanyl-ethanesulfonamide

Systemtic Name: N-[3-fluoranyl-4-[1-[5-(2-methoxy-4-methyl-phenyl)carbonyl-1H-pyrrol-2-yl]ethyl]phenyl]-2-oxidanyl-ethanesulfonamide Openeye Name: N-[3-fluoro-4-[1-[5-(2-methoxy-4-methyl-benzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]-2-hydroxy-ethanesulfonamide CAS Name: N-[3-fluoro-4-[1-[5-[(2-methoxy-4-methylphenyl)-oxomethyl]-1H-pyrrol-2-yl]ethyl]phenyl]-2-hydroxyethanesulfonamide IUPAC Name: N-[3-fluoro-4-[1-[5-(2-methoxy-4-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]-2-hydroxyethanesulfonamide Traditional Name: N-[3-fluoro-4-[1-[5-(2-methoxy-4-methyl-benzoyl)-1H-pyrrol-2-yl]ethyl]phenyl]-2-hydroxy-ethanesulfonamide Formula: C23H25FN2O5S MolecularWeight: 460.518403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=CC=C(N2)C(C)C3=C(C=C(C=C3)NS(=O)(=O)CCO)F)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=CC=C(N2)C(C)C3=C(C=C(C=C3)NS(=O)(=O)CCO)F)OC

InChI

InChI=1S/C23H25FN2O5S/c1-14-4-6-18(22(12-14)31-3)23(28)21-9-8-20(25-21)15(2)17-7-5-16(13-19(17)24)26-32(29,30)11-10-27/h4-9,12-13,15,25-27H,10-11H2,1-3H3