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

Systemtic Name: 1-methyl-4-[4-[4-(2-phenylethynyl)phenyl]carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-[4-(2-phenylethynyl)benzoyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[oxo-[4-(2-phenylethynyl)phenyl]methyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-[4-(2-phenylethynyl)benzoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-[4-(2-phenylethynyl)benzoyl]piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C25H24N4O4S/c1-27-18-22(17-23(27)24(26)30)34(32,33)29-15-13-28(14-16-29)25(31)21-11-9-20(10-12-21)8-7-19-5-3-2-4-6-19/h2-6,9-12,17-18H,13-16H2,1H3,(H2,26,30)