N-[3-(4-fluorophenyl)sulfonyl-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]butanamide

Systemtic Name: N-[3-(4-fluorophenyl)sulfonyl-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]butanamide Openeye Name: N-[3-(4-fluorophenyl)sulfonyl-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]butanamide CAS Name: N-[3-(4-fluorophenyl)sulfonyl-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]butanamide IUPAC Name: N-[3-(4-fluorophenyl)sulfonyl-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]butanamide Traditional Name: N-[3-(4-fluorophenyl)sulfonyl-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]butyramide Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=C(N1CC2=CC=CO2)C)C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC(=O)NC1=C(C(=C(N1CC2=CC=CO2)C)C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O4S/c1-4-6-19(25)23-21-20(29(26,27)18-10-8-16(22)9-11-18)14(2)15(3)24(21)13-17-7-5-12-28-17/h5,7-12H,4,6,13H2,1-3H3,(H,23,25)