N-(4-bromanyl-2-chloranyl-phenyl)-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-(4-bromo-2-chlorophenyl)-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-1-mesyl-isonipecotamide Formula: C13H16BrClN2O3S MolecularWeight: 395.69974

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C13H16BrClN2O3S/c1-21(19,20)17-6-4-9(5-7-17)13(18)16-12-3-2-10(14)8-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,16,18)