methyl 4-phenyl-3-[(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)sulfonyl]pyrrole-3-carboxylate

Systemtic Name: methyl 4-phenyl-3-[(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)sulfonyl]pyrrole-3-carboxylate Openeye Name: methyl 4-phenyl-3-[(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)sulfonyl]pyrrole-3-carboxylate CAS Name: 4-phenyl-3-[(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)sulfonyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-3-[(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)sulfonyl]pyrrole-3-carboxylate Traditional Name: 4-phenyl-3-[(4-phenyl-2-pyrazolin-3-yl)sulfonyl]pyrrole-3-carboxylic acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C=NC=C1C2=CC=CC=C2)S(=O)(=O)C3=NNCC3C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(C=NC=C1C2=CC=CC=C2)S(=O)(=O)C3=NNCC3C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O4S/c1-28-20(25)21(14-22-13-18(21)16-10-6-3-7-11-16)29(26,27)19-17(12-23-24-19)15-8-4-2-5-9-15/h2-11,13-14,17,23H,12H2,1H3