methyl 4-phenyl-3-(1,3,5-triphenylpyrazol-4-yl)sulfonyl-pyrrole-3-carboxylate

Systemtic Name: methyl 4-phenyl-3-(1,3,5-triphenylpyrazol-4-yl)sulfonyl-pyrrole-3-carboxylate Openeye Name: methyl 4-phenyl-3-(1,3,5-triphenylpyrazol-4-yl)sulfonyl-pyrrole-3-carboxylate CAS Name: 4-phenyl-3-[(1,3,5-triphenyl-4-pyrazolyl)sulfonyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-3-(1,3,5-triphenylpyrazol-4-yl)sulfonylpyrrole-3-carboxylate Traditional Name: 4-phenyl-3-(1,3,5-triphenylpyrazol-4-yl)sulfonyl-pyrrole-3-carboxylic acid methyl ester Formula: C33H25N3O4S MolecularWeight: 559.6343

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C=NC=C1C2=CC=CC=C2)S(=O)(=O)C3=C(N(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

COC(=O)C1(C=NC=C1C2=CC=CC=C2)S(=O)(=O)C3=C(N(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H25N3O4S/c1-40-32(37)33(23-34-22-28(33)24-14-6-2-7-15-24)41(38,39)31-29(25-16-8-3-9-17-25)35-36(27-20-12-5-13-21-27)30(31)26-18-10-4-11-19-26/h2-23H,1H3