[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 3-(benzenesulfonylmethyl)-2-furancarboxylic acid [2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 3-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 3-(besylmethyl)furan-2-carboxylic acid [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C27H25NO6S MolecularWeight: 491.5555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)C3=C(C=CO3)CS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H25NO6S/c1-19-15-24(20(2)28(19)16-21-9-5-3-6-10-21)25(29)17-34-27(30)26-22(13-14-33-26)18-35(31,32)23-11-7-4-8-12-23/h3-15H,16-18H2,1-2H3