(3S)-N'-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonyl-1-(4-fluorophenyl)sulfonyl-piperidine-3-carbohydrazide

Systemtic Name: (3S)-N'-(4-bromanyl-1-methyl-pyrrol-2-yl)carbonyl-1-(4-fluorophenyl)sulfonyl-piperidine-3-carbohydrazide Openeye Name: (3S)-N'-(4-bromo-1-methyl-pyrrole-2-carbonyl)-1-(4-fluorophenyl)sulfonyl-piperidine-3-carbohydrazide CAS Name: (3S)-N'-[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]-1-(4-fluorophenyl)sulfonyl-3-piperidinecarbohydrazide IUPAC Name: (3S)-N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbohydrazide Traditional Name: (3S)-N'-(4-bromo-1-methyl-pyrrole-2-carbonyl)-1-(4-fluorophenyl)sulfonyl-nipecotohydrazide Formula: C18H20BrFN4O4S MolecularWeight: 487.343203

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)NNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F)Br

InChI

InChI=1S/C18H20BrFN4O4S/c1-23-11-13(19)9-16(23)18(26)22-21-17(25)12-3-2-8-24(10-12)29(27,28)15-6-4-14(20)5-7-15/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,21,25)(H,22,26)/t12-/m0/s1