ethyl 2-(2-bromophenyl)-5-(diphenylmethylidene)-1-(4-methylphenyl)sulfonyl-2H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-(2-bromophenyl)-5-(diphenylmethylidene)-1-(4-methylphenyl)sulfonyl-2H-pyrrole-3-carboxylate Openeye Name: ethyl 5-benzhydrylidene-2-(2-bromophenyl)-1-(p-tolylsulfonyl)-2H-pyrrole-3-carboxylate CAS Name: 2-(2-bromophenyl)-5-(diphenylmethylene)-1-(4-methylphenyl)sulfonyl-2H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-benzhydrylidene-2-(2-bromophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyrrole-3-carboxylate Traditional Name: 5-benzhydrylidene-2-(2-bromophenyl)-1-tosyl-3-pyrroline-3-carboxylic acid ethyl ester Formula: C33H28BrNO4S MolecularWeight: 614.54872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C2=CC=CC=C2)C3=CC=CC=C3)N(C1C4=CC=CC=C4Br)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C2=CC=CC=C2)C3=CC=CC=C3)N(C1C4=CC=CC=C4Br)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C33H28BrNO4S/c1-3-39-33(36)28-22-30(31(24-12-6-4-7-13-24)25-14-8-5-9-15-25)35(32(28)27-16-10-11-17-29(27)34)40(37,38)26-20-18-23(2)19-21-26/h4-22,32H,3H2,1-2H3