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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2=CC=C(N2)C(C)C3=C(C=C(C=C3)NS(=O)(=O)CCO)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2=CC=C(N2)C(C)C3=C(C=C(C=C3)NS(=O)(=O)CCO)F

InChI

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