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

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

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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=C(C=C3)F

Isomeric SMILES

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

InChI

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