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

Systemtic Name: N-[4-[1-[5-(4-bromanyl-2-methyl-phenyl)carbonyl-1H-pyrrol-2-yl]ethyl]-3-fluoranyl-phenyl]-2-oxidanyl-ethanesulfonamide Openeye Name: N-[4-[1-[5-(4-bromo-2-methyl-benzoyl)-1H-pyrrol-2-yl]ethyl]-3-fluoro-phenyl]-2-hydroxy-ethanesulfonamide CAS Name: N-[4-[1-[5-[(4-bromo-2-methylphenyl)-oxomethyl]-1H-pyrrol-2-yl]ethyl]-3-fluorophenyl]-2-hydroxyethanesulfonamide IUPAC Name: N-[4-[1-[5-(4-bromo-2-methylbenzoyl)-1H-pyrrol-2-yl]ethyl]-3-fluorophenyl]-2-hydroxyethanesulfonamide Traditional Name: N-[4-[1-[5-(4-bromo-2-methyl-benzoyl)-1H-pyrrol-2-yl]ethyl]-3-fluoro-phenyl]-2-hydroxy-ethanesulfonamide Formula: C22H22BrFN2O4S MolecularWeight: 509.388483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrFN2O4S/c1-13-11-15(23)3-5-17(13)22(28)21-8-7-20(25-21)14(2)18-6-4-16(12-19(18)24)26-31(29,30)10-9-27/h3-8,11-12,14,25-27H,9-10H2,1-2H3