4-[4-(3-fluoranyl-4-methyl-phenyl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide

Systemtic Name: 4-[4-(3-fluoranyl-4-methyl-phenyl)carbonylpiperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide Openeye Name: 4-[4-(3-fluoro-4-methyl-benzoyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxamide CAS Name: 4-[[4-[(3-fluoro-4-methylphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: 4-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide Traditional Name: 4-[4-(3-fluoro-4-methyl-benzoyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxamide Formula: C18H21FN4O4S MolecularWeight: 408.447143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C)F

InChI

InChI=1S/C18H21FN4O4S/c1-12-3-4-13(9-15(12)19)18(25)22-5-7-23(8-6-22)28(26,27)14-10-16(17(20)24)21(2)11-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,24)