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

Systemtic Name: N-[4-[1-[5-(4-bromophenyl)carbonyl-1H-pyrrol-2-yl]ethyl]-3-fluoranyl-phenyl]-2-oxidanyl-ethanesulfonamide Openeye Name: N-[4-[1-[5-(4-bromobenzoyl)-1H-pyrrol-2-yl]ethyl]-3-fluoro-phenyl]-2-hydroxy-ethanesulfonamide CAS Name: N-[4-[1-[5-[(4-bromophenyl)-oxomethyl]-1H-pyrrol-2-yl]ethyl]-3-fluorophenyl]-2-hydroxyethanesulfonamide IUPAC Name: N-[4-[1-[5-(4-bromobenzoyl)-1H-pyrrol-2-yl]ethyl]-3-fluorophenyl]-2-hydroxyethanesulfonamide Traditional Name: N-[4-[1-[5-(4-bromobenzoyl)-1H-pyrrol-2-yl]ethyl]-3-fluoro-phenyl]-2-hydroxy-ethanesulfonamide Formula: C21H20BrFN2O4S MolecularWeight: 495.361903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrFN2O4S/c1-13(17-7-6-16(12-18(17)23)25-30(28,29)11-10-26)19-8-9-20(24-19)21(27)14-2-4-15(22)5-3-14/h2-9,12-13,24-26H,10-11H2,1H3