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

Systemtic Name: N-[3-fluoranyl-4-[1-[4-methyl-5-(4-methylphenyl)carbothioyl-1H-pyrrol-2-yl]ethyl]phenyl]-2-oxidanyl-ethanesulfonamide Openeye Name: N-[3-fluoro-4-[1-[4-methyl-5-(4-methylbenzenecarbothioyl)-1H-pyrrol-2-yl]ethyl]phenyl]-2-hydroxy-ethanesulfonamide CAS Name: N-[3-fluoro-4-[1-[4-methyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-1H-pyrrol-2-yl]ethyl]phenyl]-2-hydroxyethanesulfonamide IUPAC Name: N-[3-fluoro-4-[1-[4-methyl-5-(4-methylbenzenecarbothioyl)-1H-pyrrol-2-yl]ethyl]phenyl]-2-hydroxyethanesulfonamide Traditional Name: N-[3-fluoro-4-[1-[4-methyl-5-(4-methylthiobenzoyl)-1H-pyrrol-2-yl]ethyl]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(N2)C(C)C3=C(C=C(C=C3)NS(=O)(=O)CCO)F)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=C(C=C(N2)C(C)C3=C(C=C(C=C3)NS(=O)(=O)CCO)F)C

InChI

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