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

Systemtic Name: methyl 4-(4-chlorophenyl)-3-[(4-phenyl-1H-pyrazol-5-yl)sulfonyl]pyrrole-3-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-3-[(4-phenyl-1H-pyrazol-5-yl)sulfonyl]pyrrole-3-carboxylate CAS Name: 4-(4-chlorophenyl)-3-[(4-phenyl-1H-pyrazol-5-yl)sulfonyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-3-[(4-phenyl-1H-pyrazol-5-yl)sulfonyl]pyrrole-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-3-[(4-phenyl-1H-pyrazol-5-yl)sulfonyl]pyrrole-3-carboxylic acid methyl ester Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C=NC=C1C2=CC=C(C=C2)Cl)S(=O)(=O)C3=C(C=NN3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1(C=NC=C1C2=CC=C(C=C2)Cl)S(=O)(=O)C3=C(C=NN3)C4=CC=CC=C4

InChI

InChI=1S/C21H16ClN3O4S/c1-29-20(26)21(13-23-12-18(21)15-7-9-16(22)10-8-15)30(27,28)19-17(11-24-25-19)14-5-3-2-4-6-14/h2-13H,1H3,(H,24,25)