methyl 5-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H21ClFN3O5S MolecularWeight: 457.903543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H21ClFN3O5S/c1-11-16(19(26)29-3)12(2)22-17(11)18(25)23-6-8-24(9-7-23)30(27,28)13-4-5-15(21)14(20)10-13/h4-5,10,22H,6-9H2,1-3H3