(3S)-N-(4-bromanyl-2-fluoranyl-phenyl)-1-(4-chlorophenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-bromanyl-2-fluoranyl-phenyl)-1-(4-chlorophenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-bromo-2-fluoro-phenyl)-1-(4-chlorophenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-bromo-2-fluorophenyl)-1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-bromo-2-fluorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-bromo-2-fluoro-phenyl)-1-(4-chlorophenyl)sulfonyl-nipecotamide Formula: C18H17BrClFN2O3S MolecularWeight: 475.759583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H17BrClFN2O3S/c19-13-3-8-17(16(21)10-13)22-18(24)12-2-1-9-23(11-12)27(25,26)15-6-4-14(20)5-7-15/h3-8,10,12H,1-2,9,11H2,(H,22,24)/t12-/m0/s1