methyl 2-[4-(4-bromanyl-3-methyl-phenyl)piperidin-1-yl]sulfonylethanoate

Systemtic Name: methyl 2-[4-(4-bromanyl-3-methyl-phenyl)piperidin-1-yl]sulfonylethanoate Openeye Name: methyl 2-[[4-(4-bromo-3-methyl-phenyl)-1-piperidyl]sulfonyl]acetate CAS Name: 2-[[4-(4-bromo-3-methylphenyl)-1-piperidinyl]sulfonyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-bromo-3-methylphenyl)piperidin-1-yl]sulfonylacetate Traditional Name: 2-[4-(4-bromo-3-methyl-phenyl)piperidino]sulfonylacetic acid methyl ester Formula: C15H20BrNO4S MolecularWeight: 390.2926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)CC(=O)OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)CC(=O)OC)Br

InChI

InChI=1S/C15H20BrNO4S/c1-11-9-13(3-4-14(11)16)12-5-7-17(8-6-12)22(19,20)10-15(18)21-2/h3-4,9,12H,5-8,10H2,1-2H3