N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-pyrrol-2-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-pyrrol-2-yl]-3-fluoranyl-benzamide Openeye Name: N-[1-allyl-4,5-dimethyl-3-(p-tolylsulfonyl)pyrrol-2-yl]-3-fluoro-benzamide CAS Name: N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-prop-2-enyl-2-pyrrolyl]-3-fluorobenzamide IUPAC Name: N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-prop-2-enylpyrrol-2-yl]-3-fluorobenzamide Traditional Name: N-(1-allyl-4,5-dimethyl-3-tosyl-pyrrol-2-yl)-3-fluoro-benzamide Formula: C23H23FN2O3S MolecularWeight: 426.503723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C)C)CC=C)NC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C(=C2C)C)CC=C)NC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C23H23FN2O3S/c1-5-13-26-17(4)16(3)21(30(28,29)20-11-9-15(2)10-12-20)22(26)25-23(27)18-7-6-8-19(24)14-18/h5-12,14H,1,13H2,2-4H3,(H,25,27)