(3S)-N-[(Z)-(4-bromanyl-2-fluoranyl-phenyl)methylideneamino]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(Z)-(4-bromanyl-2-fluoranyl-phenyl)methylideneamino]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(Z)-(4-bromo-2-fluoro-phenyl)methyleneamino]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(Z)-(4-bromo-2-fluorophenyl)methylideneamino]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-[(Z)-(4-bromo-2-fluoro-benzylidene)amino]-1-mesyl-nipecotamide Formula: C14H17BrFN3O3S MolecularWeight: 406.270483

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NN=CC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C1)C(=O)N/N=C\C2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C14H17BrFN3O3S/c1-23(21,22)19-6-2-3-11(9-19)14(20)18-17-8-10-4-5-12(15)7-13(10)16/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,18,20)/b17-8-/t11-/m0/s1