N-[4-[[5-(2,4-dimethylphenyl)carbonyl-1-methyl-pyrrol-2-yl]methyl]-3-fluoranyl-phenyl]-2-oxidanyl-ethanesulfonamide

Systemtic Name: N-[4-[[5-(2,4-dimethylphenyl)carbonyl-1-methyl-pyrrol-2-yl]methyl]-3-fluoranyl-phenyl]-2-oxidanyl-ethanesulfonamide Openeye Name: N-[4-[[5-(2,4-dimethylbenzoyl)-1-methyl-pyrrol-2-yl]methyl]-3-fluoro-phenyl]-2-hydroxy-ethanesulfonamide CAS Name: N-[4-[[5-[(2,4-dimethylphenyl)-oxomethyl]-1-methyl-2-pyrrolyl]methyl]-3-fluorophenyl]-2-hydroxyethanesulfonamide IUPAC Name: N-[4-[[5-(2,4-dimethylbenzoyl)-1-methylpyrrol-2-yl]methyl]-3-fluorophenyl]-2-hydroxyethanesulfonamide Traditional Name: N-[4-[[5-(2,4-dimethylbenzoyl)-1-methyl-pyrrol-2-yl]methyl]-3-fluoro-phenyl]-2-hydroxy-ethanesulfonamide Formula: C23H25FN2O4S MolecularWeight: 444.519003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=CC=C(N2C)CC3=C(C=C(C=C3)NS(=O)(=O)CCO)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=CC=C(N2C)CC3=C(C=C(C=C3)NS(=O)(=O)CCO)F)C

InChI

InChI=1S/C23H25FN2O4S/c1-15-4-8-20(16(2)12-15)23(28)22-9-7-19(26(22)3)13-17-5-6-18(14-21(17)24)25-31(29,30)11-10-27/h4-9,12,14,25,27H,10-11,13H2,1-3H3