(3S)-1-(5-bromanyl-2-methyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylate

Systemtic Name: (3S)-1-(5-bromanyl-2-methyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylate Openeye Name: (3S)-1-(5-bromo-2-methyl-4-methylsulfonyl-phenyl)piperidine-3-carboxylate CAS Name: (3S)-1-(5-bromo-2-methyl-4-methylsulfonylphenyl)-3-piperidinecarboxylate IUPAC Name: (3S)-1-(5-bromo-2-methyl-4-methylsulfonylphenyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(5-bromo-4-mesyl-2-methyl-phenyl)nipecotate Formula: C14H17BrNO4S- MolecularWeight: 375.25808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N2CCCC(C2)C(=O)[O-])Br)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1N2CCC[C@@H](C2)C(=O)[O-])Br)S(=O)(=O)C

InChI

InChI=1S/C14H18BrNO4S/c1-9-6-13(21(2,19)20)11(15)7-12(9)16-5-3-4-10(8-16)14(17)18/h6-7,10H,3-5,8H2,1-2H3,(H,17,18)/p-1/t10-/m0/s1