1-methyl-4-[4-(2-methyl-6-phenyl-pyridin-3-yl)carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-[4-(2-methyl-6-phenyl-pyridin-3-yl)carbonylpiperazin-1-yl]sulfonyl-pyrrole-2-carboxamide Openeye Name: 1-methyl-4-[4-(2-methyl-6-phenyl-pyridine-3-carbonyl)piperazin-1-yl]sulfonyl-pyrrole-2-carboxamide CAS Name: 1-methyl-4-[[4-[(2-methyl-6-phenyl-3-pyridinyl)-oxomethyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]sulfonylpyrrole-2-carboxamide Traditional Name: 1-methyl-4-[4-(2-methyl-6-phenyl-nicotinoyl)piperazino]sulfonyl-pyrrole-2-carboxamide Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CN(C(=C4)C(=O)N)C

InChI

InChI=1S/C23H25N5O4S/c1-16-19(8-9-20(25-16)17-6-4-3-5-7-17)23(30)27-10-12-28(13-11-27)33(31,32)18-14-21(22(24)29)26(2)15-18/h3-9,14-15H,10-13H2,1-2H3,(H2,24,29)