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

Systemtic Name: N-[3-fluoranyl-4-[1-[5-(phenylcarbonyl)-1H-pyrrol-2-yl]ethyl]phenyl]-2-oxidanyl-ethanesulfonamide Openeye Name: N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-fluoro-phenyl]-2-hydroxy-ethanesulfonamide CAS Name: N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-fluorophenyl]-2-hydroxyethanesulfonamide IUPAC Name: N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-fluorophenyl]-2-hydroxyethanesulfonamide Traditional Name: N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-fluoro-phenyl]-2-hydroxy-ethanesulfonamide Formula: C21H21FN2O4S MolecularWeight: 416.465843

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O4S/c1-14(17-8-7-16(13-18(17)22)24-29(27,28)12-11-25)19-9-10-20(23-19)21(26)15-5-3-2-4-6-15/h2-10,13-14,23-25H,11-12H2,1H3