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

Systemtic Name: methyl 2-[4-(4-bromanyl-3-methyl-phenyl)piperidin-1-yl]sulfonyl-2-methyl-propanoate Openeye Name: methyl 2-[[4-(4-bromo-3-methyl-phenyl)-1-piperidyl]sulfonyl]-2-methyl-propanoate CAS Name: 2-[[4-(4-bromo-3-methylphenyl)-1-piperidinyl]sulfonyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[4-(4-bromo-3-methylphenyl)piperidin-1-yl]sulfonyl-2-methylpropanoate Traditional Name: 2-[4-(4-bromo-3-methyl-phenyl)piperidino]sulfonyl-2-methyl-propionic acid methyl ester Formula: C17H24BrNO4S MolecularWeight: 418.34576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrNO4S/c1-12-11-14(5-6-15(12)18)13-7-9-19(10-8-13)24(21,22)17(2,3)16(20)23-4/h5-6,11,13H,7-10H2,1-4H3