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

Systemtic Name: N-[4-[[1,4-dimethyl-5-(4-methylphenyl)carbothioyl-pyrrol-2-yl]methyl]-3-fluoranyl-phenyl]ethanesulfonamide Openeye Name: N-[4-[[1,4-dimethyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]methyl]-3-fluoro-phenyl]ethanesulfonamide CAS Name: N-[4-[[1,4-dimethyl-5-[(4-methylphenyl)-sulfanylidenemethyl]-2-pyrrolyl]methyl]-3-fluorophenyl]ethanesulfonamide IUPAC Name: N-[4-[[1,4-dimethyl-5-(4-methylbenzenecarbothioyl)pyrrol-2-yl]methyl]-3-fluorophenyl]ethanesulfonamide Traditional Name: N-[4-[[1,4-dimethyl-5-(4-methylthiobenzoyl)pyrrol-2-yl]methyl]-3-fluoro-phenyl]ethanesulfonamide Formula: C23H25FN2O2S2 MolecularWeight: 444.585203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC1=CC(=C(C=C1)CC2=CC(=C(N2C)C(=S)C3=CC=C(C=C3)C)C)F

Isomeric SMILES

CCS(=O)(=O)NC1=CC(=C(C=C1)CC2=CC(=C(N2C)C(=S)C3=CC=C(C=C3)C)C)F

InChI

InChI=1S/C23H25FN2O2S2/c1-5-30(27,28)25-19-11-10-18(21(24)14-19)13-20-12-16(3)22(26(20)4)23(29)17-8-6-15(2)7-9-17/h6-12,14,25H,5,13H2,1-4H3