methyl (4E)-4-[[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylidene]-2-methyl-5-oxidanylidene-1-phenethyl-pyrrole-3-carboxylate

Systemtic Name: methyl (4E)-4-[[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylidene]-2-methyl-5-oxidanylidene-1-phenethyl-pyrrole-3-carboxylate Openeye Name: methyl (4E)-4-[[5-[[(4-bromophenyl)sulfonylamino]methyl]-2-furyl]methylene]-2-methyl-5-oxo-1-phenethyl-pyrrole-3-carboxylate CAS Name: (4E)-4-[[5-[[(4-bromophenyl)sulfonylamino]methyl]-2-furanyl]methylidene]-2-methyl-5-oxo-1-phenethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4E)-4-[[5-[[(4-bromophenyl)sulfonylamino]methyl]furan-2-yl]methylidene]-2-methyl-5-oxo-1-phenethylpyrrole-3-carboxylate Traditional Name: (4E)-4-[[5-[(brosylamino)methyl]-2-furyl]methylene]-5-keto-2-methyl-1-phenethyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C27H25BrN2O6S MolecularWeight: 585.4662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=C(O2)CNS(=O)(=O)C3=CC=C(C=C3)Br)C(=O)N1CCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C\C2=CC=C(O2)CNS(=O)(=O)C3=CC=C(C=C3)Br)/C(=O)N1CCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H25BrN2O6S/c1-18-25(27(32)35-2)24(26(31)30(18)15-14-19-6-4-3-5-7-19)16-21-10-11-22(36-21)17-29-37(33,34)23-12-8-20(28)9-13-23/h3-13,16,29H,14-15,17H2,1-2H3/b24-16+