N-(5-acetamido-2-fluoranyl-phenyl)-1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(5-acetamido-2-fluoranyl-phenyl)-1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(5-acetamido-2-fluoro-phenyl)-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(5-acetamido-2-fluorophenyl)-1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(5-acetamido-2-fluorophenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(5-acetamido-2-fluoro-phenyl)-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-isonipecotamide Formula: C20H24FN5O5S MolecularWeight: 465.498463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CN(C(=C3)C(=O)N)C

InChI

InChI=1S/C20H24FN5O5S/c1-12(27)23-14-3-4-16(21)17(9-14)24-20(29)13-5-7-26(8-6-13)32(30,31)15-10-18(19(22)28)25(2)11-15/h3-4,9-11,13H,5-8H2,1-2H3,(H2,22,28)(H,23,27)(H,24,29)