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

Systemtic Name: N-[1-(furan-2-ylmethyl)-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-pyrrol-2-yl]butanamide Openeye Name: N-[1-(2-furylmethyl)-4,5-dimethyl-3-(p-tolylsulfonyl)pyrrol-2-yl]butanamide CAS Name: N-[1-(2-furanylmethyl)-4,5-dimethyl-3-(4-methylphenyl)sulfonyl-2-pyrrolyl]butanamide IUPAC Name: N-[1-(furan-2-ylmethyl)-4,5-dimethyl-3-(4-methylphenyl)sulfonylpyrrol-2-yl]butanamide Traditional Name: N-[1-(2-furfuryl)-4,5-dimethyl-3-tosyl-pyrrol-2-yl]butyramide Formula: C22H26N2O4S MolecularWeight: 414.51784

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-5-7-20(25)23-22-21(29(26,27)19-11-9-15(2)10-12-19)16(3)17(4)24(22)14-18-8-6-13-28-18/h6,8-13H,5,7,14H2,1-4H3,(H,23,25)