N-[4-[[1,4-dimethyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]methyl]-3-fluoranyl-phenyl]-2-oxidanyl-ethanesulfonamide

Systemtic Name: N-[4-[[1,4-dimethyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]methyl]-3-fluoranyl-phenyl]-2-oxidanyl-ethanesulfonamide Openeye Name: N-[4-[[1,4-dimethyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]methyl]-3-fluoro-phenyl]-2-hydroxy-ethanesulfonamide CAS Name: N-[4-[[1,4-dimethyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-2-pyrrolyl]methyl]-3-fluorophenyl]-2-hydroxyethanesulfonamide IUPAC Name: N-[4-[[1,4-dimethyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]methyl]-3-fluorophenyl]-2-hydroxyethanesulfonamide Traditional Name: N-[4-[[1,4-dimethyl-5-(4-methylthiobenzoyl)pyrrol-2-yl]methyl]-3-fluoro-phenyl]-2-hydroxy-ethanesulfonamide Formula: C23H25FN2O3S2 MolecularWeight: 460.584603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN2O3S2/c1-15-4-6-17(7-5-15)23(30)22-16(2)12-20(26(22)3)13-18-8-9-19(14-21(18)24)25-31(28,29)11-10-27/h4-9,12,14,25,27H,10-11,13H2,1-3H3