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

Systemtic Name: 1-(5-aminocarbonyl-1-methyl-pyrrol-3-yl)sulfonyl-N-(4-bromanyl-2-fluoranyl-phenyl)piperidine-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-[(5-carbamoyl-1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-(5-carbamoyl-1-methyl-pyrrol-3-yl)sulfonyl-isonipecotamide Formula: C18H20BrFN4O4S MolecularWeight: 487.343203

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CN1C=C(C=C1C(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H20BrFN4O4S/c1-23-10-13(9-16(23)17(21)25)29(27,28)24-6-4-11(5-7-24)18(26)22-15-3-2-12(19)8-14(15)20/h2-3,8-11H,4-7H2,1H3,(H2,21,25)(H,22,26)